C231H168N12 — CID 158152946
N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine (PubChem CID 158152946) has the molecular formula C231H168N12 and a molecular weight of 3111.97 g/mol. Its IUPAC name is N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine.
| Compound Name | N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine |
|---|---|
| PubChem CID | 158152946 |
| Molecular Formula | C231H168N12 |
| Molecular Weight | 3111.97 g/mol |
| Exact Mass | 3109.35 |
| IUPAC Name | N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[10-[2,5-dimethyl-4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]-2,5-dimethylphenyl]-N,9-diphenylcarbazol-3-amine;N,9-diphenyl-N-[3-[10-[3-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine |
| SMILES | Cc1cc(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(C)cc1-c1c2ccccc2c(-c2cc(C)c(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C)c2ccccc12.Cc1ccc2c(-c3cc(C)c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3C)c3ccccc3c(-c3cc(C)c(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3C)c2c1.c1ccc(N(c2cccc(-c3c4ccccc4c(-c4cccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4ccccc34)c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1 |
| InChI | InChI=1S/C79H60N4.C78H58N4.C74H50N4/c1-51-38-41-66-71(44-51)79(68-46-55(5)77(48-53(68)3)81(57-26-12-7-13-27-57)61-40-43-75-70(50-61)63-33-21-23-37-73(63)83(75)59-30-16-9-17-31-59)65-35-19-18-34-64(65)78(66)67-45-54(4)76(47-52(67)2)80(56-24-10-6-11-25-56)60-39-42-74-69(49-60)62-32-20-22-36-72(62)82(74)58-28-14-8-15-29-58;1-51-47-75(79(55-25-9-5-10-26-55)59-41-43-73-69(49-59)61-33-21-23-39-71(61)81(73)57-29-13-7-14-30-57)53(3)45-67(51)77-63-35-17-19-37-65(63)78(66-38-20-18-36-64(66)77)68-46-54(4)76(48-52(68)2)80(56-27-11-6-12-28-56)60-42-44-74-70(50-60)62-34-22-24-40-72(62)82(74)58-31-15-8-16-32-58;1-5-25-53(26-6-1)75(59-43-45-71-67(49-59)61-35-17-19-41-69(61)77(71)55-29-9-3-10-30-55)57-33-21-23-51(47-57)73-63-37-13-15-39-65(63)74(66-40-16-14-38-64(66)73)52-24-22-34-58(48-52)76(54-27-7-2-8-28-54)60-44-46-72-68(50-60)62-36-18-20-42-70(62)78(72)56-31-11-4-12-32-56/h6-50H,1-5H3;5-50H,1-4H3;1-50H |
| InChIKey | FVILZAXICGGFAX-UHFFFAOYSA-N |
| XLogP | 64.16 |
| TPSA | 49.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 243 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3111.97 |
| LogP ≤ 5 | 64.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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