C163H108N22 — CID 157415442
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 157415442) has the molecular formula C163H108N22 and a molecular weight of 2374.81 g/mol. Its IUPAC name is 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 157415442 |
| Molecular Formula | C163H108N22 |
| Molecular Weight | 2374.81 g/mol |
| Exact Mass | 2372.91 |
| IUPAC Name | 9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccn3)n2)nc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)nc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccn3)n2)nc1 |
| InChI | InChI=1S/C35H24N2.C33H22N4.2C32H21N5.C31H20N6/c1-3-11-26(12-4-1)32-23-28(24-33(36-32)27-13-5-2-6-14-27)25-19-21-29(22-20-25)37-34-17-9-7-15-30(34)31-16-8-10-18-35(31)37;1-3-13-32-26(9-1)27-10-2-4-14-33(27)37(32)25-17-15-23(16-18-25)24-21-30(28-11-5-7-19-34-28)36-31(22-24)29-12-6-8-20-35-29;1-3-13-30-24(9-1)25-10-2-4-14-31(25)37(30)23-17-15-22(16-18-23)32-35-28(26-11-5-7-19-33-26)21-29(36-32)27-12-6-8-20-34-27;1-3-13-30-24(9-1)25-10-2-4-14-31(25)37(30)23-17-15-22(16-18-23)28-21-29(26-11-5-7-19-33-26)36-32(35-28)27-12-6-8-20-34-27;1-3-13-27-23(9-1)24-10-2-4-14-28(24)37(27)22-17-15-21(16-18-22)29-34-30(25-11-5-7-19-32-25)36-31(35-29)26-12-6-8-20-33-26/h1-24H;1-22H;2*1-21H;1-20H |
| InChIKey | BOUFSOVMUSGWDV-UHFFFAOYSA-N |
| XLogP | 38.64 |
| TPSA | 243.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 185 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2374.81 |
| LogP ≤ 5 | 38.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |