C254H176N22 — CID 158358320
5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-diphenylindeno[1,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 158358320) has the molecular formula C254H176N22 and a molecular weight of 3536.36 g/mol. Its IUPAC name is 5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-diphenylindeno[1,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.
| Compound Name | 5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-diphenylindeno[1,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 158358320 |
| Molecular Formula | C254H176N22 |
| Molecular Weight | 3536.36 g/mol |
| Exact Mass | 3533.44 |
| IUPAC Name | 5-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole;5-(2,6-diphenylpyrimidin-4-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-diphenylindeno[1,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c21.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C50H32N4.C46H30N4.2C42H30N4.2C37H27N3/c1-3-13-33(14-4-1)49-42-19-7-10-20-44(42)51-50(52-49)34-23-27-38(28-24-34)54-45-21-11-8-17-39(45)41-29-25-36(32-48(41)54)35-26-30-47-43(31-35)40-18-9-12-22-46(40)53(47)37-15-5-2-6-16-37;1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-41-28-16-14-26-36(41)38-29-40-37(30-42(38)50)35-25-13-15-27-39(35)46(40,33-21-9-3-10-22-33)34-23-11-4-12-24-34;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;1-42(2)35-19-11-9-17-31(35)33-25-26-34-32-18-10-12-20-36(32)46(38(34)37(33)42)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;1-37(2)30-19-11-9-17-26(30)28-22-34-29(21-31(28)37)27-18-10-12-20-33(27)40(34)35-23-32(24-13-5-3-6-14-24)38-36(39-35)25-15-7-4-8-16-25;1-37(2)29-19-11-9-17-26(29)27-21-22-32-34(35(27)37)28-18-10-12-20-31(28)40(32)33-23-30(24-13-5-3-6-14-24)38-36(39-33)25-15-7-4-8-16-25/h1-32H;1-30H;2*3-26H,1-2H3;2*3-23H,1-2H3 |
| InChIKey | GTDQBEHNALZBKY-UHFFFAOYSA-N |
| XLogP | 62.47 |
| TPSA | 227.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 276 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3536.36 |
| LogP ≤ 5 | 62.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |