C153H95N17O — CID 159521551
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-phenylindolo[3,2-c]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 159521551) has the molecular formula C153H95N17O and a molecular weight of 2187.56 g/mol. Its IUPAC name is 12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-phenylindolo[3,2-c]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole.
| Compound Name | 12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-phenylindolo[3,2-c]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 159521551 |
| Molecular Formula | C153H95N17O |
| Molecular Weight | 2187.56 g/mol |
| Exact Mass | 2185.79 |
| IUPAC Name | 12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-phenylindolo[3,2-c]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)ccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)ccc43)n2)cc1 |
| InChI | InChI=1S/2C51H32N6.C51H31N5O/c1-4-16-33(17-5-1)49-52-50(34-18-6-2-7-19-34)54-51(53-49)57-45-27-15-12-24-39(45)42-32-36(28-31-46(42)57)56-44-26-14-11-23-38(44)41-30-29-40-37-22-10-13-25-43(37)55(47(40)48(41)56)35-20-8-3-9-21-35;1-4-16-33(17-5-1)49-52-50(34-18-6-2-7-19-34)54-51(53-49)57-43-26-14-11-23-38(43)41-32-36(28-30-45(41)57)55-44-27-15-12-24-40(44)47-46(55)31-29-39-37-22-10-13-25-42(37)56(48(39)47)35-20-8-3-9-21-35;1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)46-42(30-31-44-45(46)39-24-12-15-27-43(39)57-44)56-41-26-14-11-23-36(41)38-29-28-37-35-22-10-13-25-40(35)55(47(37)48(38)56)34-20-8-3-9-21-34/h2*1-32H;1-31H |
| InChIKey | MBWDJAJQQBPLCF-UHFFFAOYSA-N |
| XLogP | 37.96 |
| TPSA | 168.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2187.56 |
| LogP ≤ 5 | 37.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |