C165H104N18 — CID 158933080
1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;1,3-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole (PubChem CID 158933080) has the molecular formula C165H104N18 and a molecular weight of 2338.77 g/mol. Its IUPAC name is 1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;1,3-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole.
| Compound Name | 1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;1,3-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole |
|---|---|
| PubChem CID | 158933080 |
| Molecular Formula | C165H104N18 |
| Molecular Weight | 2338.77 g/mol |
| Exact Mass | 2336.87 |
| IUPAC Name | 1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;1,3-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c43)n2)cc1 |
| InChI | InChI=1S/2C57H36N6.C51H32N6/c1-4-18-37(19-5-1)40-32-33-52-46(34-40)47-35-41(61-48-28-14-10-24-42(48)43-25-11-15-29-49(43)61)36-53(62-50-30-16-12-26-44(50)45-27-13-17-31-51(45)62)54(47)63(52)57-59-55(38-20-6-2-7-21-38)58-56(60-57)39-22-8-3-9-23-39;1-3-17-37(18-4-1)55-58-56(38-19-5-2-6-20-38)60-57(59-55)39-31-33-40(34-32-39)62-50-28-14-11-25-46(50)47-35-41(61-48-26-12-7-21-42(48)43-22-8-13-27-49(43)61)36-53(54(47)62)63-51-29-15-9-23-44(51)45-24-10-16-30-52(45)63;1-3-17-33(18-4-1)49-52-50(34-19-5-2-6-20-34)54-51(53-49)57-46-30-16-11-25-40(46)41-31-35(55-42-26-12-7-21-36(42)37-22-8-13-27-43(37)55)32-47(48(41)57)56-44-28-14-9-23-38(44)39-24-10-15-29-45(39)56/h2*1-36H;1-32H |
| InChIKey | JJHSDJLLBBXELN-UHFFFAOYSA-N |
| XLogP | 40.82 |
| TPSA | 160.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2338.77 |
| LogP ≤ 5 | 40.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |