C102H64N8O2 — CID 159859933
3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (PubChem CID 159859933) has the molecular formula C102H64N8O2 and a molecular weight of 1433.69 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.
| Compound Name | 3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 159859933 |
| Molecular Formula | C102H64N8O2 |
| Molecular Weight | 1433.69 g/mol |
| Exact Mass | 1432.52 |
| IUPAC Name | 3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)c3)n2)cc1 |
| InChI | InChI=1S/2C51H32N4O/c1-3-13-33(14-4-1)49-52-50(34-15-5-2-6-16-34)54-51(53-49)39-19-11-17-35(29-39)36-18-12-20-40(30-36)55-45-23-9-7-21-41(45)43-31-37(25-27-46(43)55)38-26-28-48-44(32-38)42-22-8-10-24-47(42)56-48;1-3-11-35(12-4-1)49-52-50(36-13-5-2-6-14-36)54-51(53-49)37-21-19-33(20-22-37)34-23-27-40(28-24-34)55-45-17-9-7-15-41(45)43-31-38(25-29-46(43)55)39-26-30-48-44(32-39)42-16-8-10-18-47(42)56-48/h2*1-32H |
| InChIKey | NRABVYDXGAYZSL-UHFFFAOYSA-N |
| XLogP | 26.41 |
| TPSA | 113.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 112 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1433.69 |
| LogP ≤ 5 | 26.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |