C144H93N9 — CID 159875127
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 159875127) has the molecular formula C144H93N9 and a molecular weight of 1949.39 g/mol. Its IUPAC name is 1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole.
| Compound Name | 1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 159875127 |
| Molecular Formula | C144H93N9 |
| Molecular Weight | 1949.39 g/mol |
| Exact Mass | 1947.76 |
| IUPAC Name | 1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c32)cc1 |
| InChI | InChI=1S/3C48H31N3/c1-2-13-33(14-3-1)51-46-24-11-6-17-39(46)41-20-12-19-36(48(41)51)32-25-30-47-42(31-32)40-18-7-10-23-45(40)50(47)35-28-26-34(27-29-35)49-43-21-8-4-15-37(43)38-16-5-9-22-44(38)49;1-2-13-33(14-3-1)51-45-23-11-7-18-40(45)48-36(19-12-24-47(48)51)32-25-30-46-41(31-32)39-17-6-10-22-44(39)50(46)35-28-26-34(27-29-35)49-42-20-8-4-15-37(42)38-16-5-9-21-43(38)49;1-2-12-34(13-3-1)51-45-20-10-6-16-39(45)41-28-22-33(31-48(41)51)32-23-29-47-42(30-32)40-17-7-11-21-46(40)50(47)36-26-24-35(25-27-36)49-43-18-8-4-14-37(43)38-15-5-9-19-44(38)49/h3*1-31H |
| InChIKey | NSUPKHSRDVWGNF-UHFFFAOYSA-N |
| XLogP | 37.93 |
| TPSA | 44.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 153 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1949.39 |
| LogP ≤ 5 | 37.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |