C120H78N10 — CID 165031430
5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 165031430) has the molecular formula C120H78N10 and a molecular weight of 1660.01 g/mol. Its IUPAC name is 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
| Compound Name | 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 165031430 |
| Molecular Formula | C120H78N10 |
| Molecular Weight | 1660.01 g/mol |
| Exact Mass | 1658.64 |
| IUPAC Name | 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7c65)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7c65)n4)c3)cc2)cc1 |
| InChI | InChI=1S/C63H41N5.C57H37N5/c1-6-21-42(22-7-1)43-37-39-44(40-38-43)48-29-20-30-49(41-48)62-64-61(47-27-12-4-13-28-47)65-63(66-62)68-54-36-19-17-34-52(54)58-56(46-25-10-3-11-26-46)55(45-23-8-2-9-24-45)57-51-33-16-18-35-53(51)67(59(57)60(58)68)50-31-14-5-15-32-50;1-5-18-38(19-6-1)39-32-34-40(35-33-39)43-24-17-25-44(36-43)56-58-55(42-22-9-3-10-23-42)59-57(60-56)62-50-30-15-13-28-46(50)49-37-48(41-20-7-2-8-21-41)52-47-29-14-16-31-51(47)61(54(52)53(49)62)45-26-11-4-12-27-45/h1-41H;1-37H |
| InChIKey | MSGLFODHKAMYSW-UHFFFAOYSA-N |
| XLogP | 30.47 |
| TPSA | 97.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 130 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1660.01 |
| LogP ≤ 5 | 30.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |