C151H97F3N12O3 — CID 159203969
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole (PubChem CID 159203969) has the molecular formula C151H97F3N12O3 and a molecular weight of 2184.51 g/mol. Its IUPAC name is 9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole.
| Compound Name | 9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole |
|---|---|
| PubChem CID | 159203969 |
| Molecular Formula | C151H97F3N12O3 |
| Molecular Weight | 2184.51 g/mol |
| Exact Mass | 2182.78 |
| IUPAC Name | 9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole |
| SMILES | Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1 |
| InChI | InChI=1S/2C52H34N4O.C47H29F3N4O/c1-33-14-8-9-19-39(33)38-25-27-41-40-20-10-12-22-45(40)56(47(41)31-38)46-29-26-36(37-24-28-43-42-21-11-13-23-48(42)57-49(43)32-37)30-44(46)52-54-50(34-15-4-2-5-16-34)53-51(55-52)35-17-6-3-7-18-35;1-33-14-8-9-19-39(33)38-26-29-46-43(31-38)40-20-10-12-22-45(40)56(46)47-28-25-36(37-24-27-42-41-21-11-13-23-48(41)57-49(42)32-37)30-44(47)52-54-50(34-15-4-2-5-16-34)53-51(55-52)35-17-6-3-7-18-35;1-28-16-21-39-36(24-28)37-27-33(47(48,49)50)19-23-40(37)54(39)41-22-18-31(32-17-20-35-34-14-8-9-15-42(34)55-43(35)26-32)25-38(41)46-52-44(29-10-4-2-5-11-29)51-45(53-46)30-12-6-3-7-13-30/h2*2-32H,1H3;2-27H,1H3 |
| InChIKey | KPQGZPBMZFBCKI-UHFFFAOYSA-N |
| XLogP | 39.89 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 169 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2184.51 |
| LogP ≤ 5 | 39.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |