C126H84N6 — CID 161148569
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole (PubChem CID 161148569) has the molecular formula C126H84N6 and a molecular weight of 1682.10 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole.
| Compound Name | 9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 161148569 |
| Molecular Formula | C126H84N6 |
| Molecular Weight | 1682.10 g/mol |
| Exact Mass | 1680.68 |
| IUPAC Name | 9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole |
| SMILES | c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)c2)cc1 |
| InChI | InChI=1S/2C48H32N2.C30H20N2/c1-3-15-33(16-4-1)35-27-36(34-17-5-2-6-18-34)29-37(28-35)38-30-39(49-45-23-11-7-19-41(45)42-20-8-12-24-46(42)49)32-40(31-38)50-47-25-13-9-21-43(47)44-22-10-14-26-48(44)50;1-2-12-33(13-3-1)36-30-37(34-22-26-39(27-23-34)49-45-18-8-4-14-41(45)42-15-5-9-19-46(42)49)32-38(31-36)35-24-28-40(29-25-35)50-47-20-10-6-16-43(47)44-17-7-11-21-48(44)50;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32/h2*1-32H;1-20H |
| InChIKey | UOJLQTYBBILOMG-UHFFFAOYSA-N |
| XLogP | 33.64 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 132 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1682.10 |
| LogP ≤ 5 | 33.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |