C175H120N18 — CID 158497325
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole (PubChem CID 158497325) has the molecular formula C175H120N18 and a molecular weight of 2475.01 g/mol. Its IUPAC name is 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole.
| Compound Name | 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole |
|---|---|
| PubChem CID | 158497325 |
| Molecular Formula | C175H120N18 |
| Molecular Weight | 2475.01 g/mol |
| Exact Mass | 2472.99 |
| IUPAC Name | 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole |
| SMILES | Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1 |
| InChI | InChI=1S/C63H44N6.2C56H38N6/c1-41-23-27-43(28-24-41)49-31-34-52-53-35-32-50(44-29-25-42(2)26-30-44)39-59(53)69(58(52)38-49)57-36-33-51(63-67-61(47-19-11-5-12-20-47)66-62(68-63)48-21-13-6-14-22-48)37-54(57)56-40-55(45-15-7-3-8-16-45)64-60(65-56)46-17-9-4-10-18-46;1-37-26-28-38(29-27-37)43-30-32-46-45-24-14-15-25-50(45)62(52(46)35-43)51-33-31-44(56-60-54(41-20-10-4-11-21-41)59-55(61-56)42-22-12-5-13-23-42)34-47(51)49-36-48(39-16-6-2-7-17-39)57-53(58-49)40-18-8-3-9-19-40;1-37-26-28-38(29-27-37)43-30-32-51-46(34-43)45-24-14-15-25-50(45)62(51)52-33-31-44(56-60-54(41-20-10-4-11-21-41)59-55(61-56)42-22-12-5-13-23-42)35-47(52)49-36-48(39-16-6-2-7-17-39)57-53(58-49)40-18-8-3-9-19-40/h3-40H,1-2H3;2*2-36H,1H3 |
| InChIKey | HJLLKGWNCIGNBD-UHFFFAOYSA-N |
| XLogP | 43.18 |
| TPSA | 208.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 193 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2475.01 |
| LogP ≤ 5 | 43.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |