C65H42N4 — CID 58526954
9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole (PubChem CID 58526954) has the molecular formula C65H42N4 and a molecular weight of 879.08 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole.
| Compound Name | 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 58526954 |
| Molecular Formula | C65H42N4 |
| Molecular Weight | 879.08 g/mol |
| Exact Mass | 878.34 |
| IUPAC Name | 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole |
| SMILES | c1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1 |
| InChI | InChI=1S/C65H42N4/c1-2-17-43(18-3-1)58-40-48(41-59(66-58)44-33-35-49(36-34-44)67-60-27-10-4-21-52(60)53-22-5-11-28-61(53)67)46-20-16-19-45(37-46)47-38-50(68-62-29-12-6-23-54(62)55-24-7-13-30-63(55)68)42-51(39-47)69-64-31-14-8-25-56(64)57-26-9-15-32-65(57)69/h1-42H |
| InChIKey | WUCSVGZYMXJUES-UHFFFAOYSA-N |
| XLogP | 17.04 |
| TPSA | 27.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 69 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 879.08 |
| LogP ≤ 5 | 17.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |