
 CHEMBL2179461

978987  0  0  0  0  0  0  0  0999 V2000
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550554  1  0  0  0
550553  1  0  0  0
550552  1  0  0  0
550551  1  0  0  0
556557  1  0  0  0
557562  1  0  0  0
557561  1  0  0  0
557560  1  0  0  0
557559  1  0  0  0
557558  1  0  0  0
563564  1  0  0  0
564569  1  0  0  0
564568  1  0  0  0
564567  1  0  0  0
564566  1  0  0  0
564565  1  0  0  0
570571  1  0  0  0
571576  1  0  0  0
571575  1  0  0  0
571574  1  0  0  0
571573  1  0  0  0
571572  1  0  0  0
577578  1  0  0  0
578583  1  0  0  0
578582  1  0  0  0
578581  1  0  0  0
578580  1  0  0  0
578579  1  0  0  0
584585  1  0  0  0
585590  1  0  0  0
585589  1  0  0  0
585588  1  0  0  0
585587  1  0  0  0
585586  1  0  0  0
591592  1  0  0  0
592597  1  0  0  0
592596  1  0  0  0
592595  1  0  0  0
592594  1  0  0  0
592593  1  0  0  0
598599  1  0  0  0
599604  1  0  0  0
599603  1  0  0  0
599602  1  0  0  0
599601  1  0  0  0
599600  1  0  0  0
605606  1  0  0  0
606611  1  0  0  0
606610  1  0  0  0
606609  1  0  0  0
606608  1  0  0  0
606607  1  0  0  0
612613  1  0  0  0
613618  1  0  0  0
613617  1  0  0  0
613616  1  0  0  0
613615  1  0  0  0
613614  1  0  0  0
619620  1  0  0  0
620625  1  0  0  0
620624  1  0  0  0
620623  1  0  0  0
620622  1  0  0  0
620621  1  0  0  0
626627  1  0  0  0
627632  1  0  0  0
627631  1  0  0  0
627630  1  0  0  0
627629  1  0  0  0
627628  1  0  0  0
633634  1  0  0  0
634639  1  0  0  0
634638  1  0  0  0
634637  1  0  0  0
634636  1  0  0  0
634635  1  0  0  0
640641  1  0  0  0
641646  1  0  0  0
641645  1  0  0  0
641644  1  0  0  0
641643  1  0  0  0
641642  1  0  0  0
647648  1  0  0  0
648653  1  0  0  0
648652  1  0  0  0
648651  1  0  0  0
648650  1  0  0  0
648649  1  0  0  0
654655  1  0  0  0
655660  1  0  0  0
655659  1  0  0  0
655658  1  0  0  0
655657  1  0  0  0
655656  1  0  0  0
M  CHG  8   3   1  12   1  23   1  32   1  43   1  52   1  63   1  72   1
M  CHG  8  83   1  92   1 103   1 112   1 118   1 127   1 133   1 142   1
M  CHG  8 153   1 162   1 168   1 177   1 183   1 192   1 203   1 212   1
M  CHG  8 223   1 232   1 238   1 247   1 253   1 262   1 273   1 282   1
M  CHG  8 288   1 297   1 303   1 312   1 323   1 332   1 338   1 347   1
M  CHG  8 353   1 362   1 368  -1 375  -1 382  -1 389  -1 396  -1 403  -1
M  CHG  8 410  -1 417  -1 424  -1 431  -1 438  -1 445  -1 452  -1 459  -1
M  CHG  8 466  -1 473  -1 480  -1 487  -1 494  -1 501  -1 508  -1 515  -1
M  CHG  8 522  -1 529  -1 536  -1 543  -1 550  -1 557  -1 564  -1 571  -1
M  CHG  8 578  -1 585  -1 592  -1 599  -1 606  -1 613  -1 620  -1 627  -1
M  CHG  4 634  -1 641  -1 648  -1 655  -1
M  END

>  <Chemical Name>
CHEMBL2179461

>  <PubChem CID>
71450127

>  <Formula>
C324H318F252N42P42

>  <Molecular Weight>
10888.898000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
294

>  <Canonical SMILES>
CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC3=CC(=CC(=C3)C[N+]4=CC=C(C=C4)C5=CC=[N+](C=C5)CC6=CC(=CC(=C6)C[N+]7=CC=C(C=C7)C8=CC=[N+](C=C8)CC9=CC(=CC(=C9)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

>  <Isomeric SMILES>
CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC3=CC(=CC(=C3)C[N+]4=CC=C(C=C4)C5=CC=[N+](C=C5)CC6=CC(=CC(=C6)C[N+]7=CC=C(C=C7)C8=CC=[N+](C=C8)CC9=CC(=CC(=C9)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC1=CC(=CC(=C1)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC)C[N+]1=CC=C(C=C1)C1=CC=[N+](C=C1)CC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

>  <InChI Std. ID>
InChI=1S/C324H318N42.42F6P/c1-13-325-109-25-283(26-110-325)295-49-133-337(134-50-295)223-253-193-254(224-338-135-51-296(52-136-338)284-27-111-326(14-2)112-28-284)200-265(199-253)235-349-157-73-307(74-158-349)313-85-169-355(170-86-313)241-271-211-272(242-356-171-87-314(88-172-356)308-75-159-350(160-76-308)236-266-201-255(225-339-137-53-297(54-138-339)285-29-113-327(15-3)114-30-285)194-256(202-266)226-340-139-55-298(56-140-340)286-31-115-328(16-4)116-32-286)215-277(214-271)247-361-181-97-319(98-182-361)322-103-187-364(188-104-322)250-280-220-281(251-365-189-105-323(106-190-365)320-99-183-362(184-100-320)248-278-216-273(243-357-173-89-315(90-174-357)309-77-161-351(162-78-309)237-267-203-257(227-341-141-57-299(58-142-341)287-33-117-329(17-5)118-34-287)195-258(204-267)228-342-143-59-300(60-144-342)288-35-119-330(18-6)120-36-288)212-274(217-278)244-358-175-91-316(92-176-358)310-79-163-352(164-80-310)238-268-205-259(229-343-145-61-301(62-146-343)289-37-121-331(19-7)122-38-289)196-260(206-268)230-344-147-63-302(64-148-344)290-39-123-332(20-8)124-40-290)222-282(221-280)252-366-191-107-324(108-192-366)321-101-185-363(186-102-321)249-279-218-275(245-359-177-93-317(94-178-359)311-81-165-353(166-82-311)239-269-207-261(231-345-149-65-303(66-150-345)291-41-125-333(21-9)126-42-291)197-262(208-269)232-346-151-67-304(68-152-346)292-43-127-334(22-10)128-44-292)213-276(219-279)246-360-179-95-318(96-180-360)312-83-167-354(168-84-312)240-270-209-263(233-347-153-69-305(70-154-347)293-45-129-335(23-11)130-46-293)198-264(210-270)234-348-155-71-306(72-156-348)294-47-131-336(24-12)132-48-294;42*1-7(2,3,4,5)6/h25-222H,13-24,223-252H2,1-12H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q+42;42*-1

>  <InChI Key>
UBDNICMSWQAGGB-UHFFFAOYSA-N

