C183H136N18 — CID 160719289
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole (PubChem CID 160719289) has the molecular formula C183H136N18 and a molecular weight of 2587.23 g/mol. Its IUPAC name is 9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole.
| Compound Name | 9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole |
|---|---|
| PubChem CID | 160719289 |
| Molecular Formula | C183H136N18 |
| Molecular Weight | 2587.23 g/mol |
| Exact Mass | 2585.12 |
| IUPAC Name | 9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole |
| SMILES | Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1.Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1 |
| InChI | InChI=1S/C67H52N6.2C58H42N6/c1-41-33-43(3)62(44(4)34-41)51-27-30-54-55-31-28-52(63-45(5)35-42(2)36-46(63)6)39-61(55)73(60(54)38-51)59-32-29-53(66-68-57(47-19-11-7-12-20-47)40-58(69-66)48-21-13-8-14-22-48)37-56(59)67-71-64(49-23-15-9-16-24-49)70-65(72-67)50-25-17-10-18-26-50;1-37-32-38(2)54(39(3)33-37)44-28-30-47-46-26-16-17-27-51(46)64(53(47)35-44)52-31-29-45(57-59-49(40-18-8-4-9-19-40)36-50(60-57)41-20-10-5-11-21-41)34-48(52)58-62-55(42-22-12-6-13-23-42)61-56(63-58)43-24-14-7-15-25-43;1-37-32-38(2)54(39(3)33-37)44-28-30-52-47(34-44)46-26-16-17-27-51(46)64(52)53-31-29-45(57-59-49(40-18-8-4-9-19-40)36-50(60-57)41-20-10-5-11-21-41)35-48(53)58-62-55(42-22-12-6-13-23-42)61-56(63-58)43-24-14-7-15-25-43/h7-40H,1-6H3;2*4-36H,1-3H3 |
| InChIKey | RSWRMDDLLYEFOT-UHFFFAOYSA-N |
| XLogP | 45.65 |
| TPSA | 208.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2587.23 |
| LogP ≤ 5 | 45.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |