C276H172N28 — CID 158607283
3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 158607283) has the molecular formula C276H172N28 and a molecular weight of 3880.61 g/mol. Its IUPAC name is 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
| Compound Name | 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile |
|---|---|
| PubChem CID | 158607283 |
| Molecular Formula | C276H172N28 |
| Molecular Weight | 3880.61 g/mol |
| Exact Mass | 3877.43 |
| IUPAC Name | 3-[3,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[2-(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile |
| SMILES | N#Cc1cccc(-c2c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cncc2-n2c3cc(-c4ccc(-c5ccccc5)nc4)ccc3c3ccc(-c4ccc(-c5ccccc5)nc4)cc32)c1.N#Cc1cccc(-c2c(-n3c4ccc(-c5ccc(-c6ccccc6)nc5)cc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)cncc2-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.N#Cc1cccc(-c2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)cncc2-n2c3ccccc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c1.N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5ccnc(-c6ccccc6)c5)cc43)cncc2-n2c3ccccc3c3ccc(-c4ccnc(-c5ccccc5)c4)cc32)c1 |
| InChI | InChI=1S/2C80H50N8.2C58H36N6/c81-45-52-14-13-23-61(40-52)80-78(87-74-36-28-57(62-24-32-70(83-46-62)53-15-5-1-6-16-53)41-66(74)67-42-58(29-37-75(67)87)63-25-33-71(84-47-63)54-17-7-2-8-18-54)50-82-51-79(80)88-76-38-30-59(64-26-34-72(85-48-64)55-19-9-3-10-20-55)43-68(76)69-44-60(31-39-77(69)88)65-27-35-73(86-49-65)56-21-11-4-12-22-56;81-45-52-14-13-23-61(40-52)80-78(87-74-41-57(62-28-36-70(83-46-62)53-15-5-1-6-16-53)24-32-66(74)67-33-25-58(42-75(67)87)63-29-37-71(84-47-63)54-17-7-2-8-18-54)50-82-51-79(80)88-76-43-59(64-30-38-72(85-48-64)55-19-9-3-10-20-55)26-34-68(76)69-35-27-60(44-77(69)88)65-31-39-73(86-49-65)56-21-11-4-12-22-56;59-33-38-12-11-17-43(30-38)58-56(63-52-20-9-7-18-46(52)48-31-41(24-28-54(48)63)44-22-26-50(61-34-44)39-13-3-1-4-14-39)36-60-37-57(58)64-53-21-10-8-19-47(53)49-32-42(25-29-55(49)64)45-23-27-51(62-35-45)40-15-5-2-6-16-40;59-35-38-12-11-17-45(30-38)58-56(63-52-20-9-7-18-46(52)48-24-22-41(33-54(48)63)43-26-28-61-50(31-43)39-13-3-1-4-14-39)36-60-37-57(58)64-53-21-10-8-19-47(53)49-25-23-42(34-55(49)64)44-27-29-62-51(32-44)40-15-5-2-6-16-40/h2*1-44,46-51H;1-32,34-37H;1-34,36-37H |
| InChIKey | HWJUMRUUCXUMIJ-UHFFFAOYSA-N |
| XLogP | 68.01 |
| TPSA | 340.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 304 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3880.61 |
| LogP ≤ 5 | 68.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |