
 CHEMBL1083554

228229  0  0  0  0  0  0  0  0999 V2000
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 62 63  2  0  0  0
 62 67  1  0  0  0
 63 64  1  0  0  0
 63205  1  0  0  0
 64 65  2  0  0  0
 64206  1  0  0  0
 65 66  1  0  0  0
 65 68  1  0  0  0
 66 67  2  0  0  0
 66207  1  0  0  0
 67208  1  0  0  0
 68 69  1  0  0  0
 68209  1  0  0  0
 68210  1  0  0  0
 69211  1  0  0  0
 69212  1  0  0  0
 69213  1  0  0  0
 70 71  1  0  0  0
 70214  1  0  0  0
 70215  1  0  0  0
 71 72  2  0  0  0
 71 76  1  0  0  0
 72 73  1  0  0  0
 72216  1  0  0  0
 73 74  2  0  0  0
 73217  1  0  0  0
 74 75  1  0  0  0
 74 77  1  0  0  0
 75 76  2  0  0  0
 75218  1  0  0  0
 76219  1  0  0  0
 77 78  2  0  0  0
 77 82  1  0  0  0
 78 79  1  0  0  0
 78220  1  0  0  0
 79 80  2  0  0  0
 79221  1  0  0  0
 80 81  1  0  0  0
 80 83  1  0  0  0
 81 82  2  0  0  0
 81222  1  0  0  0
 82223  1  0  0  0
 83 84  1  0  0  0
 83224  1  0  0  0
 83225  1  0  0  0
 84226  1  0  0  0
 84227  1  0  0  0
 84228  1  0  0  0
 85 86  1  0  0  0
 86 91  1  0  0  0
 86 90  1  0  0  0
 86 89  1  0  0  0
 86 88  1  0  0  0
 86 87  1  0  0  0
 92 93  1  0  0  0
 93 98  1  0  0  0
 93 97  1  0  0  0
 93 96  1  0  0  0
 93 95  1  0  0  0
 93 94  1  0  0  0
 99100  1  0  0  0
100105  1  0  0  0
100104  1  0  0  0
100103  1  0  0  0
100102  1  0  0  0
100101  1  0  0  0
106107  1  0  0  0
107112  1  0  0  0
107111  1  0  0  0
107110  1  0  0  0
107109  1  0  0  0
107108  1  0  0  0
113114  1  0  0  0
114119  1  0  0  0
114118  1  0  0  0
114117  1  0  0  0
114116  1  0  0  0
114115  1  0  0  0
120121  1  0  0  0
121126  1  0  0  0
121125  1  0  0  0
121124  1  0  0  0
121123  1  0  0  0
121122  1  0  0  0
127128  1  0  0  0
128133  1  0  0  0
128132  1  0  0  0
128131  1  0  0  0
128130  1  0  0  0
128129  1  0  0  0
134135  1  0  0  0
135140  1  0  0  0
135139  1  0  0  0
135138  1  0  0  0
135137  1  0  0  0
135136  1  0  0  0
141142  1  0  0  0
142147  1  0  0  0
142146  1  0  0  0
142145  1  0  0  0
142144  1  0  0  0
142143  1  0  0  0
148149  1  0  0  0
149154  1  0  0  0
149153  1  0  0  0
149152  1  0  0  0
149151  1  0  0  0
149150  1  0  0  0
M  CHG  8   3   1  12   1  22   1  31   1  41   1  50   1  56   1  65   1
M  CHG  8  71   1  80   1  86  -1  93  -1 100  -1 107  -1 114  -1 121  -1
M  CHG  4 128  -1 135  -1 142  -1 149  -1
M  END

>  <Chemical Name>
CHEMBL1083554

>  <PubChem CID>
46222002

>  <Formula>
C74H74F60N10P10

>  <Molecular Weight>
2553.118000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
70

>  <Canonical SMILES>
CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC3=CC(=CC(=C3)[N+]4=CC=C(C=C4)C5=CC=[N+](C=C5)C6=CC(=CC(=C6)C[N+]7=CC=C(C=C7)C8=CC=[N+](C=C8)CC)C[N+]9=CC=C(C=C9)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

>  <Isomeric SMILES>
CC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC3=CC(=CC(=C3)[N+]4=CC=C(C=C4)C5=CC=[N+](C=C5)C6=CC(=CC(=C6)C[N+]7=CC=C(C=C7)C8=CC=[N+](C=C8)CC)C[N+]9=CC=C(C=C9)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

>  <InChI Std. ID>
InChI=1S/C74H74N10.10F6P/c1-5-75-29-9-63(10-30-75)67-17-37-79(38-18-67)55-59-49-60(56-80-39-19-68(20-40-80)64-11-31-76(6-2)32-12-64)52-73(51-59)83-45-25-71(26-46-83)72-27-47-84(48-28-72)74-53-61(57-81-41-21-69(22-42-81)65-13-33-77(7-3)34-14-65)50-62(54-74)58-82-43-23-70(24-44-82)66-15-35-78(8-4)36-16-66;10*1-7(2,3,4,5)6/h9-54H,5-8,55-58H2,1-4H3;;;;;;;;;;/q+10;10*-1

>  <InChI Key>
KXECIWFKZNUDQO-UHFFFAOYSA-N

