C284H193N13OS — CID 157275554
4-(9-naphthalen-1-ylcarbazol-3-yl)-N,N-diphenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-3-amine;9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 157275554) has the molecular formula C284H193N13OS and a molecular weight of 3835.82 g/mol. Its IUPAC name is 4-(9-naphthalen-1-ylcarbazol-3-yl)-N,N-diphenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-3-amine;9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.
| Compound Name | 4-(9-naphthalen-1-ylcarbazol-3-yl)-N,N-diphenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-3-amine;9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine |
|---|---|
| PubChem CID | 157275554 |
| Molecular Formula | C284H193N13OS |
| Molecular Weight | 3835.82 g/mol |
| Exact Mass | 3832.52 |
| IUPAC Name | 4-(9-naphthalen-1-ylcarbazol-3-yl)-N,N-diphenylaniline;N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-3-amine;9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4ccc5ccccc5c4c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc2)cc1 |
| InChI | InChI=1S/C54H37N3.C50H34N2.C48H32N2O.C48H32N2S.C44H30N2.C40H28N2/c1-4-14-38(15-5-1)39-24-29-44(30-25-39)55(46-33-35-54-50(37-46)48-21-11-13-23-52(48)57(54)43-18-8-3-9-19-43)45-31-26-40(27-32-45)41-28-34-53-49(36-41)47-20-10-12-22-51(47)56(53)42-16-6-2-7-17-42;1-3-11-35(12-4-1)36-21-27-42(28-22-36)51(44-31-25-39-20-19-38-13-7-8-16-45(38)47(39)34-44)43-29-23-37(24-30-43)40-26-32-50-48(33-40)46-17-9-10-18-49(46)52(50)41-14-5-2-6-15-41;1-3-12-33(13-4-1)34-22-27-38(28-23-34)49(46-20-11-18-42-41-17-8-10-21-47(41)51-48(42)46)39-29-24-35(25-30-39)36-26-31-45-43(32-36)40-16-7-9-19-44(40)50(45)37-14-5-2-6-15-37;1-3-11-33(12-4-1)34-19-24-38(25-20-34)49(40-28-29-43-42-16-8-10-18-47(42)51-48(43)32-40)39-26-21-35(22-27-39)36-23-30-46-44(31-36)41-15-7-9-17-45(41)50(46)37-13-5-2-6-14-37;1-2-15-36(16-3-1)45(42-20-10-14-33-12-6-7-17-39(33)42)37-25-21-32(22-26-37)35-24-28-44-41(30-35)40-18-8-9-19-43(40)46(44)38-27-23-31-11-4-5-13-34(31)29-38;1-3-14-32(15-4-1)41(33-16-5-2-6-17-33)34-25-22-29(23-26-34)31-24-27-40-37(28-31)36-19-9-10-20-39(36)42(40)38-21-11-13-30-12-7-8-18-35(30)38/h1-37H;1-34H;2*1-32H;1-30H;1-28H |
| InChIKey | AZBANHZDAMRYIF-UHFFFAOYSA-N |
| XLogP | 79.32 |
| TPSA | 67.09 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 299 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3835.82 |
| LogP ≤ 5 | 79.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|