C138H96N14 — CID 158543724
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 158543724) has the molecular formula C138H96N14 and a molecular weight of 1950.38 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole.
| Compound Name | 2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole |
|---|---|
| PubChem CID | 158543724 |
| Molecular Formula | C138H96N14 |
| Molecular Weight | 1950.38 g/mol |
| Exact Mass | 1948.79 |
| IUPAC Name | 2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;9-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole |
| SMILES | CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/2C48H33N5.C42H30N4/c1-48(2)39-27-32(52-41-22-12-9-19-34(41)35-20-10-13-23-42(35)52)25-26-33(39)37-28-38-36-21-11-14-24-43(36)53(44(38)29-40(37)48)47-50-45(30-15-5-3-6-16-30)49-46(51-47)31-17-7-4-8-18-31;1-48(2)39-22-12-9-19-33(39)36-28-38-37-27-32(52-41-23-13-10-20-34(41)35-21-11-14-24-42(35)52)25-26-43(37)53(44(38)29-40(36)48)47-50-45(30-15-5-3-6-16-30)49-46(51-47)31-17-7-4-8-18-31;1-42(2)34-19-11-9-17-31(34)32-25-26-36-37(38(32)42)33-18-10-12-20-35(33)46(36)30-23-21-29(22-24-30)41-44-39(27-13-5-3-6-14-27)43-40(45-41)28-15-7-4-8-16-28/h2*3-29H,1-2H3;3-26H,1-2H3 |
| InChIKey | HOVQRJWSYLPQDF-UHFFFAOYSA-N |
| XLogP | 33.69 |
| TPSA | 140.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 152 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1950.38 |
| LogP ≤ 5 | 33.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |