C124H76N16O — CID 165088903
6-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinoline;6-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinoline;6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinoline (PubChem CID 165088903) has the molecular formula C124H76N16O and a molecular weight of 1806.08 g/mol. Its IUPAC name is 6-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinoline;6-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinoline;6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinoline.
| Compound Name | 6-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinoline;6-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinoline;6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinoline |
|---|---|
| PubChem CID | 165088903 |
| Molecular Formula | C124H76N16O |
| Molecular Weight | 1806.08 g/mol |
| Exact Mass | 1804.64 |
| IUPAC Name | 6-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinoline;6-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]quinoline;6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]quinoline |
| SMILES | c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4ccccc4n4c3nc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cc5ccccc5n5c4nc4ccccc45)c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5n5c4nc4ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1 |
| InChI | InChI=1S/C48H30N6.C42H25N5O.C34H21N5/c1-3-15-31(16-4-1)45-50-46(32-17-5-2-6-18-32)52-47(51-45)35-27-34(28-36(29-35)53-42-24-12-8-20-37(42)38-21-9-13-25-43(38)53)39-30-33-19-7-11-23-41(33)54-44-26-14-10-22-40(44)49-48(39)54;1-2-12-26(13-3-1)39-44-40(46-41(45-39)31-18-11-23-37-38(31)30-17-5-9-22-36(30)48-37)29-16-10-15-27(24-29)32-25-28-14-4-7-20-34(28)47-35-21-8-6-19-33(35)43-42(32)47;1-2-11-23(12-3-1)31-36-32(26-19-18-22-10-4-5-13-24(22)20-26)38-33(37-31)27-21-25-14-6-8-16-29(25)39-30-17-9-7-15-28(30)35-34(27)39/h1-30H;1-25H;1-21H |
| InChIKey | WJGHFNPMEDUYDB-UHFFFAOYSA-N |
| XLogP | 29.96 |
| TPSA | 185.98 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 141 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1806.08 |
| LogP ≤ 5 | 29.96 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |