C164H90N26O — CID 161272686
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3-carbonitrile;6-isocyano-9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile;9-[6-(6-isocyanopyrido[2,3-b]indol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;9-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile (PubChem CID 161272686) has the molecular formula C164H90N26O and a molecular weight of 2440.70 g/mol. Its IUPAC name is 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3-carbonitrile;6-isocyano-9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile;9-[6-(6-isocyanopyrido[2,3-b]indol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;9-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile.
| Compound Name | 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3-carbonitrile;6-isocyano-9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile;9-[6-(6-isocyanopyrido[2,3-b]indol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;9-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile |
|---|---|
| PubChem CID | 161272686 |
| Molecular Formula | C164H90N26O |
| Molecular Weight | 2440.70 g/mol |
| Exact Mass | 2438.78 |
| IUPAC Name | 9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3-carbonitrile;6-isocyano-9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile;9-[6-(6-isocyanopyrido[2,3-b]indol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;9-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile |
| SMILES | N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-n2c3ccccc3c3cnccc32)n1.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-n2c3ccccc3c3ccccc32)n1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cccc(-n3c4ccccc4c4cccnc43)c2)c1.[C-]#[N+]c1ccc2c(c1)c1cccnc1n2-c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)n1 |
| InChI | InChI=1S/C37H19N5O.C37H21N5.2C30H16N6.C30H18N4/c38-20-22-7-11-33-28(16-22)29-17-23(21-39)8-12-34(29)41(33)24-9-13-35-30(18-24)31-19-25(10-14-36(31)43-35)42-32-6-2-1-4-26(32)27-5-3-15-40-37(27)42;1-39-27-15-17-36-33(22-27)32-19-24(23-38)14-16-35(32)41(36)28-9-4-7-25(20-28)26-8-5-10-29(21-26)42-34-13-3-2-11-30(34)31-12-6-18-40-37(31)42;1-32-20-12-14-27-24(17-20)22-7-5-15-33-30(22)36(27)29-10-4-9-28(34-29)35-25-8-3-2-6-21(25)23-16-19(18-31)11-13-26(23)35;31-16-19-8-10-26-22(14-19)23-15-20(17-32)9-11-27(23)36(26)30-7-3-6-29(34-30)35-25-5-2-1-4-21(25)24-18-33-13-12-28(24)35;31-19-20-16-17-28-24(18-20)23-10-3-6-13-27(23)34(28)30-15-7-14-29(32-30)33-25-11-4-1-8-21(25)22-9-2-5-12-26(22)33/h1-19H;2-22H;2-17H;1-15,18H;1-18H |
| InChIKey | VEAJTHFGKZUCBI-UHFFFAOYSA-N |
| XLogP | 38.94 |
| TPSA | 327.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 191 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2440.70 |
| LogP ≤ 5 | 38.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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