C238H157N11 — CID 162229156
4-[2-carbazol-9-yl-6-(4-cyano-2,3,5,6-tetraphenylphenyl)-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2,3,4,5-tetraphenyl-6-[2-(N-phenylanilino)-6-(2,3,4,5-tetraphenylphenyl)-4-pyridinyl]benzonitrile (PubChem CID 162229156) has the molecular formula C238H157N11 and a molecular weight of 3170.95 g/mol. Its IUPAC name is 4-[2-carbazol-9-yl-6-(4-cyano-2,3,5,6-tetraphenylphenyl)-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2,3,4,5-tetraphenyl-6-[2-(N-phenylanilino)-6-(2,3,4,5-tetraphenylphenyl)-4-pyridinyl]benzonitrile.
| Compound Name | 4-[2-carbazol-9-yl-6-(4-cyano-2,3,5,6-tetraphenylphenyl)-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2,3,4,5-tetraphenyl-6-[2-(N-phenylanilino)-6-(2,3,4,5-tetraphenylphenyl)-4-pyridinyl]benzonitrile |
|---|---|
| PubChem CID | 162229156 |
| Molecular Formula | C238H157N11 |
| Molecular Weight | 3170.95 g/mol |
| Exact Mass | 3168.26 |
| IUPAC Name | 4-[2-carbazol-9-yl-6-(4-cyano-2,3,5,6-tetraphenylphenyl)-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;4-[2-(4-cyano-2,3,5,6-tetraphenylphenyl)-6-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]-2,3,5,6-tetraphenylbenzonitrile;2,3,4,5-tetraphenyl-6-[2-(N-phenylanilino)-6-(2,3,4,5-tetraphenylphenyl)-4-pyridinyl]benzonitrile |
| SMILES | Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2c(-c3ccccc3)c(-c3ccccc3)c(C#N)c(-c3ccccc3)c2-c2ccccc2)cc(-c2c(-c3ccccc3)c(-c3ccccc3)c(C#N)c(-c3ccccc3)c2-c2ccccc2)n1.N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2cc(-c3c(-c4ccccc4)c(-c4ccccc4)c(C#N)c(-c4ccccc4)c3-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)c2)c(-c2ccccc2)c1-c1ccccc1.N#Cc1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1cc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)nc(N(c2ccccc2)c2ccccc2)c1 |
| InChI | InChI=1S/C81H54N4.C79H50N4.C78H53N3/c1-53-43-45-69-64(47-53)65-48-54(2)44-46-70(65)85(69)71-50-63(80-76(59-35-19-7-20-36-59)72(55-27-11-3-12-28-55)66(51-82)73(56-29-13-4-14-30-56)77(80)60-37-21-8-22-38-60)49-68(84-71)81-78(61-39-23-9-24-40-61)74(57-31-15-5-16-32-57)67(52-83)75(58-33-17-6-18-34-58)79(81)62-41-25-10-26-42-62;80-51-64-70(53-29-9-1-10-30-53)74(57-37-17-5-18-38-57)78(75(58-39-19-6-20-40-58)71(64)54-31-11-2-12-32-54)61-49-66(82-69(50-61)83-67-47-27-25-45-62(67)63-46-26-28-48-68(63)83)79-76(59-41-21-7-22-42-59)72(55-33-13-3-14-34-55)65(52-81)73(56-35-15-4-16-36-56)77(79)60-43-23-8-24-44-60;79-54-68-73(58-37-17-4-18-38-58)76(60-41-21-6-22-42-60)78(62-45-25-8-26-46-62)77(61-43-23-7-24-44-61)74(68)63-51-69(80-70(52-63)81(64-47-27-9-28-48-64)65-49-29-10-30-50-65)67-53-66(55-31-11-1-12-32-55)71(56-33-13-2-14-34-56)75(59-39-19-5-20-40-59)72(67)57-35-15-3-16-36-57/h3-50H,1-2H3;1-50H;1-53H |
| InChIKey | ZVEILLYMWHVSIB-UHFFFAOYSA-N |
| XLogP | 62.89 |
| TPSA | 170.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 249 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3170.95 |
| LogP ≤ 5 | 62.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |