C132H88N6 — CID 159533505
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole (PubChem CID 159533505) has the molecular formula C132H88N6 and a molecular weight of 1758.20 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole.
| Compound Name | 3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole |
|---|---|
| PubChem CID | 159533505 |
| Molecular Formula | C132H88N6 |
| Molecular Weight | 1758.20 g/mol |
| Exact Mass | 1756.71 |
| IUPAC Name | 3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole |
| SMILES | c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc43)c2)cc1 |
| InChI | InChI=1S/C48H32N2.2C42H28N2/c1-2-10-33(11-3-1)34-18-20-35(21-19-34)36-22-27-40(28-23-36)50-47-17-9-6-14-43(47)44-32-38(26-31-48(44)50)37-24-29-39(30-25-37)49-45-15-7-4-12-41(45)42-13-5-8-16-46(42)49;1-2-11-29(12-3-1)31-13-10-14-34(27-31)44-41-20-9-6-17-37(41)38-28-32(23-26-42(38)44)30-21-24-33(25-22-30)43-39-18-7-4-15-35(39)36-16-5-8-19-40(36)43;1-2-10-29(11-3-1)30-18-23-34(24-19-30)44-41-17-9-6-14-37(41)38-28-32(22-27-42(38)44)31-20-25-33(26-21-31)43-39-15-7-4-12-35(39)36-13-5-8-16-40(36)43/h1-32H;2*1-28H |
| InChIKey | MDHKJYGJHDXZJT-UHFFFAOYSA-N |
| XLogP | 35.31 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 138 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1758.20 |
| LogP ≤ 5 | 35.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |