
 CHEMBL2179462

420423  0  0  0  0  0  0  0  0999 V2000
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186191  1  0  0  0
186190  1  0  0  0
186189  1  0  0  0
186188  1  0  0  0
186187  1  0  0  0
192193  1  0  0  0
193198  1  0  0  0
193197  1  0  0  0
193196  1  0  0  0
193195  1  0  0  0
193194  1  0  0  0
199200  1  0  0  0
200205  1  0  0  0
200204  1  0  0  0
200203  1  0  0  0
200202  1  0  0  0
200201  1  0  0  0
206207  1  0  0  0
207212  1  0  0  0
207211  1  0  0  0
207210  1  0  0  0
207209  1  0  0  0
207208  1  0  0  0
213214  1  0  0  0
214219  1  0  0  0
214218  1  0  0  0
214217  1  0  0  0
214216  1  0  0  0
214215  1  0  0  0
220221  1  0  0  0
221226  1  0  0  0
221225  1  0  0  0
221224  1  0  0  0
221223  1  0  0  0
221222  1  0  0  0
227228  1  0  0  0
228233  1  0  0  0
228232  1  0  0  0
228231  1  0  0  0
228230  1  0  0  0
228229  1  0  0  0
234235  1  0  0  0
235240  1  0  0  0
235239  1  0  0  0
235238  1  0  0  0
235237  1  0  0  0
235236  1  0  0  0
241242  1  0  0  0
242247  1  0  0  0
242246  1  0  0  0
242245  1  0  0  0
242244  1  0  0  0
242243  1  0  0  0
248249  1  0  0  0
249254  1  0  0  0
249253  1  0  0  0
249252  1  0  0  0
249251  1  0  0  0
249250  1  0  0  0
255256  1  0  0  0
256261  1  0  0  0
256260  1  0  0  0
256259  1  0  0  0
256258  1  0  0  0
256257  1  0  0  0
262263  1  0  0  0
263268  1  0  0  0
263267  1  0  0  0
263266  1  0  0  0
263265  1  0  0  0
263264  1  0  0  0
269270  1  0  0  0
270275  1  0  0  0
270274  1  0  0  0
270273  1  0  0  0
270272  1  0  0  0
270271  1  0  0  0
276277  1  0  0  0
277282  1  0  0  0
277281  1  0  0  0
277280  1  0  0  0
277279  1  0  0  0
277278  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  78   1  87   1  93   1 102   1 113   1 122   1 128   1 137   1
M  CHG  8 143   1 152   1 158  -1 165  -1 172  -1 179  -1 186  -1 193  -1
M  CHG  8 200  -1 207  -1 214  -1 221  -1 228  -1 235  -1 242  -1 249  -1
M  CHG  4 256  -1 263  -1 270  -1 277  -1
M  END

>  <Chemical Name>
CHEMBL2179462

>  <PubChem CID>
46871630

>  <Formula>
C138H138F108N18P18

>  <Molecular Weight>
4658.103000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
126

>  <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)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

>  <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)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

>  <InChI Std. ID>
InChI=1S/C138H138N18.18F6P/c1-7-139-49-13-121(14-50-139)127-25-61-145(62-26-127)97-109-85-110(98-146-63-27-128(28-64-146)122-15-51-140(8-2)52-16-122)89-115(88-109)103-151-73-37-133(38-74-151)136-43-79-154(80-44-136)106-118-94-119(107-155-81-45-137(46-82-155)134-39-75-152(76-40-134)104-116-90-111(99-147-65-29-129(30-66-147)123-17-53-141(9-3)54-18-123)86-112(91-116)100-148-67-31-130(32-68-148)124-19-55-142(10-4)56-20-124)96-120(95-118)108-156-83-47-138(48-84-156)135-41-77-153(78-42-135)105-117-92-113(101-149-69-33-131(34-70-149)125-21-57-143(11-5)58-22-125)87-114(93-117)102-150-71-35-132(36-72-150)126-23-59-144(12-6)60-24-126;18*1-7(2,3,4,5)6/h13-96H,7-12,97-108H2,1-6H3;;;;;;;;;;;;;;;;;;/q+18;18*-1

>  <InChI Key>
HKKBKEZSOOICKU-UHFFFAOYSA-N

