C168H120N12 — CID 158120881
5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 158120881) has the molecular formula C168H120N12 and a molecular weight of 2306.89 g/mol. Its IUPAC name is 5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole.
| Compound Name | 5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole |
|---|---|
| PubChem CID | 158120881 |
| Molecular Formula | C168H120N12 |
| Molecular Weight | 2306.89 g/mol |
| Exact Mass | 2304.98 |
| IUPAC Name | 5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C6(C)C)cc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C6(C)C)cc3)n2)cc1.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C6(C)C)cc3)nc(-c3cccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4C6(C)C)c3)n2)cc1 |
| InChI | InChI=1S/2C84H60N6/c1-82(2)64-28-13-7-22-55(64)58-42-45-70-73(76(58)82)61-25-10-16-31-67(61)88(70)52-38-34-49(35-39-52)79-85-80(50-36-40-53(41-37-50)89-68-32-17-11-26-62(68)74-71(89)46-43-59-56-23-8-14-29-65(56)83(3,4)77(59)74)87-81(86-79)51-20-19-21-54(48-51)90-69-33-18-12-27-63(69)75-72(90)47-44-60-57-24-9-15-30-66(57)84(5,6)78(60)75;1-82(2)64-25-13-7-19-55(64)58-43-46-70-73(76(58)82)61-22-10-16-28-67(61)88(70)52-37-31-49(32-38-52)79-85-80(50-33-39-53(40-34-50)89-68-29-17-11-23-62(68)74-71(89)47-44-59-56-20-8-14-26-65(56)83(3,4)77(59)74)87-81(86-79)51-35-41-54(42-36-51)90-69-30-18-12-24-63(69)75-72(90)48-45-60-57-21-9-15-27-66(57)84(5,6)78(60)75/h2*7-48H,1-6H3 |
| InChIKey | FROYQDIJHMLMNJ-UHFFFAOYSA-N |
| XLogP | 42.17 |
| TPSA | 106.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2306.89 |
| LogP ≤ 5 | 42.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |