C272H188N12 — CID 162173783
9-[4-(3,5-dimethylphenyl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 162173783) has the molecular formula C272H188N12 and a molecular weight of 3624.58 g/mol. Its IUPAC name is 9-[4-(3,5-dimethylphenyl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
| Compound Name | 9-[4-(3,5-dimethylphenyl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole |
|---|---|
| PubChem CID | 162173783 |
| Molecular Formula | C272H188N12 |
| Molecular Weight | 3624.58 g/mol |
| Exact Mass | 3621.51 |
| IUPAC Name | 9-[4-(3,5-dimethylphenyl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole |
| SMILES | Cc1cc(C)cc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)cc2)c1.Cc1cc(C)cc(-c2ccc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc2)c1.Cc1cc(C)cc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)c1.Cc1cc(C)cc(-c2cccc(-c3cccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c2)c1 |
| InChI | InChI=1S/C74H51N3.2C68H47N3.C62H43N3/c1-48-41-49(2)43-59(42-48)54-27-25-51(26-28-54)50-21-23-52(24-22-50)53-29-35-62(36-30-53)77-73-39-33-57(55-31-37-71-65(44-55)63-17-9-11-19-69(63)75(71)60-13-5-3-6-14-60)46-67(73)68-47-58(34-40-74(68)77)56-32-38-72-66(45-56)64-18-10-12-20-70(64)76(72)61-15-7-4-8-16-61;1-44-35-45(2)37-53(36-44)47-16-13-15-46(38-47)48-17-14-22-56(39-48)71-67-33-29-51(49-27-31-65-59(40-49)57-23-9-11-25-63(57)69(65)54-18-5-3-6-19-54)42-61(67)62-43-52(30-34-68(62)71)50-28-32-66-60(41-50)58-24-10-12-26-64(58)70(66)55-20-7-4-8-21-55;1-44-37-45(2)39-53(38-44)48-23-21-46(22-24-48)47-25-31-56(32-26-47)71-67-35-29-51(49-27-33-65-59(40-49)57-17-9-11-19-63(57)69(65)54-13-5-3-6-14-54)42-61(67)62-43-52(30-36-68(62)71)50-28-34-66-60(41-50)58-18-10-12-20-64(58)70(66)55-15-7-4-8-16-55;1-40-33-41(2)35-47(34-40)42-21-27-50(28-22-42)65-61-31-25-45(43-23-29-59-53(36-43)51-17-9-11-19-57(51)63(59)48-13-5-3-6-14-48)38-55(61)56-39-46(26-32-62(56)65)44-24-30-60-54(37-44)52-18-10-12-20-58(52)64(60)49-15-7-4-8-16-49/h3-47H,1-2H3;2*3-43H,1-2H3;3-39H,1-2H3 |
| InChIKey | ZOCXNNIZTWROKC-UHFFFAOYSA-N |
| XLogP | 73.05 |
| TPSA | 59.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 284 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3624.58 |
| LogP ≤ 5 | 73.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |