C180H118N8O3S — CID 165093056
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine (PubChem CID 165093056) has the molecular formula C180H118N8O3S and a molecular weight of 2473.04 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine.
| Compound Name | N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine |
|---|---|
| PubChem CID | 165093056 |
| Molecular Formula | C180H118N8O3S |
| Molecular Weight | 2473.04 g/mol |
| Exact Mass | 2470.90 |
| IUPAC Name | N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine;N-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-1-amine |
| SMILES | c1ccc(-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2)cc1.c1ccc(-n2c3ccccc3c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4ccccc45)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5oc6ccccc6c5c4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5c4sc4ccccc45)c32)cc1 |
| InChI | InChI=1S/2C46H30N2O.C46H30N2S.C42H28N2O/c1-2-14-33(15-3-1)48-42-21-8-6-17-38(42)41-20-11-22-43(46(41)48)47(35-28-29-40-39-18-7-9-23-44(39)49-45(40)30-35)34-26-24-32(25-27-34)37-19-10-13-31-12-4-5-16-36(31)37;1-2-14-33(15-3-1)48-42-21-8-6-17-38(42)40-20-11-22-43(46(40)48)47(35-28-29-45-41(30-35)39-18-7-9-23-44(39)49-45)34-26-24-32(25-27-34)37-19-10-13-31-12-4-5-16-36(31)37;1-2-15-33(16-3-1)48-41-23-8-6-18-37(41)39-21-11-24-42(45(39)48)47(43-25-12-22-40-38-19-7-9-26-44(38)49-46(40)43)34-29-27-32(28-30-34)36-20-10-14-31-13-4-5-17-35(31)36;1-3-13-29(14-4-1)30-25-27-32(28-26-30)43(37-21-12-24-40-41(37)35-18-8-10-23-39(35)45-40)38-22-11-19-34-33-17-7-9-20-36(33)44(42(34)38)31-15-5-2-6-16-31/h3*1-30H;1-28H |
| InChIKey | XARMVIILYQDTFL-UHFFFAOYSA-N |
| XLogP | 51.21 |
| TPSA | 72.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 192 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2473.04 |
| LogP ≤ 5 | 51.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |