C150H101N7OS — CID 158890240
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 158890240) has the molecular formula C150H101N7OS and a molecular weight of 2049.57 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.
| Compound Name | N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine |
|---|---|
| PubChem CID | 158890240 |
| Molecular Formula | C150H101N7OS |
| Molecular Weight | 2049.57 g/mol |
| Exact Mass | 2047.78 |
| IUPAC Name | N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3ccc4sc5ccccc5c4c3)cc2)cc1 |
| InChI | InChI=1S/C54H37N3.C48H32N2O.C48H32N2S/c1-4-14-38(15-5-1)39-24-29-44(30-25-39)55(46-33-35-53-50(37-46)48-21-11-13-23-52(48)56(53)42-16-6-2-7-17-42)45-31-26-40(27-32-45)41-28-34-49-47-20-10-12-22-51(47)57(54(49)36-41)43-18-8-3-9-19-43;1-3-12-33(13-4-1)34-22-27-38(28-23-34)49(45-20-11-18-43-42-17-8-10-21-47(42)51-48(43)45)39-29-24-35(25-30-39)36-26-31-41-40-16-7-9-19-44(40)50(46(41)32-36)37-14-5-2-6-15-37;1-3-12-33(13-4-1)34-22-25-38(26-23-34)49(40-27-29-48-44(32-40)43-19-8-10-21-47(43)51-48)39-17-11-14-35(30-39)36-24-28-42-41-18-7-9-20-45(41)50(46(42)31-36)37-15-5-2-6-16-37/h1-37H;2*1-32H |
| InChIKey | JEDFLZWUVBXKKP-UHFFFAOYSA-N |
| XLogP | 42.13 |
| TPSA | 42.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 159 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2049.57 |
| LogP ≤ 5 | 42.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |