C204H130F14N8 — CID 162181990
4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-4-phenylaniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline (PubChem CID 162181990) has the molecular formula C204H130F14N8 and a molecular weight of 2959.31 g/mol. Its IUPAC name is 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-4-phenylaniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline.
| Compound Name | 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-4-phenylaniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline |
|---|---|
| PubChem CID | 162181990 |
| Molecular Formula | C204H130F14N8 |
| Molecular Weight | 2959.31 g/mol |
| Exact Mass | 2957.02 |
| IUPAC Name | 4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-4-phenylaniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline |
| SMILES | Fc1c(F)c(F)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccc(-c6ccccc6)cc4n5-c4ccccc4)cc3)cc2)c(F)c1F.Fc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccc(-c6ccccc6)cc4n5-c4ccccc4)cc3)cc2)cc1.Fc1ccc(-c2ccc(N(c3ccc(F)cc3)c3ccc(-c4ccc5c(c4)c4ccc(-c6ccccc6)cc4n5-c4ccccc4)cc3)cc2)cc1.Fc1ccc(N(c2ccc(-c3ccc4c(c3)c3ccc(-c5ccccc5)cc3n4-c3ccccc3)cc2)c2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)cc1 |
| InChI | InChI=1S/C54H33F5N2.C54H37FN2.C48H28F6N2.C48H32F2N2/c55-50-49(51(56)53(58)54(59)52(50)57)38-20-28-44(29-21-38)60(42-24-16-36(17-25-42)34-10-4-1-5-11-34)43-26-18-37(19-27-43)39-23-31-47-46(32-39)45-30-22-40(35-12-6-2-7-13-35)33-48(45)61(47)41-14-8-3-9-15-41;55-46-26-16-40(17-27-46)42-20-30-49(31-21-42)56(48-28-18-41(19-29-48)38-10-4-1-5-11-38)50-32-22-43(23-33-50)44-25-35-53-52(36-44)51-34-24-45(39-12-6-2-7-13-39)37-54(51)57(53)47-14-8-3-9-15-47;49-34-17-23-38(24-18-34)55(37-21-13-31(14-22-37)43-44(50)46(52)48(54)47(53)45(43)51)36-19-11-30(12-20-36)32-16-26-41-40(27-32)39-25-15-33(29-7-3-1-4-8-29)28-42(39)56(41)35-9-5-2-6-10-35;49-39-19-11-34(12-20-39)35-13-23-42(24-14-35)51(44-27-21-40(50)22-28-44)43-25-15-36(16-26-43)37-18-30-47-46(31-37)45-29-17-38(33-7-3-1-4-8-33)32-48(45)52(47)41-9-5-2-6-10-41/h1-33H;1-37H;1-28H;1-32H |
| InChIKey | ZPDOSQWQBHTVRL-UHFFFAOYSA-N |
| XLogP | 58.30 |
| TPSA | 32.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 226 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2959.31 |
| LogP ≤ 5 | 58.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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