C210H137F3N16O4 — CID 158916941
9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole (PubChem CID 158916941) has the molecular formula C210H137F3N16O4 and a molecular weight of 3005.51 g/mol. Its IUPAC name is 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole.
| Compound Name | 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole |
|---|---|
| PubChem CID | 158916941 |
| Molecular Formula | C210H137F3N16O4 |
| Molecular Weight | 3005.51 g/mol |
| Exact Mass | 3003.10 |
| IUPAC Name | 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzofuran-4-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(-c2cccc3c2oc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2oc2ccccc23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(-c4cccc5c4oc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4cccc5c4oc4ccccc45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1 |
| InChI | InChI=1S/C59H40N4O.2C52H34N4O.C47H29F3N4O/c1-37-16-9-11-22-44(37)42-28-31-47-48-32-29-43(45-23-12-10-17-38(45)2)36-54(48)63(53(47)35-42)52-33-30-41(46-25-15-26-50-49-24-13-14-27-55(49)64-56(46)50)34-51(52)59-61-57(39-18-5-3-6-19-39)60-58(62-59)40-20-7-4-8-21-40;1-33-15-8-9-20-38(33)37-27-29-41-40-21-10-12-25-45(40)56(47(41)32-37)46-30-28-36(39-23-14-24-43-42-22-11-13-26-48(42)57-49(39)43)31-44(46)52-54-50(34-16-4-2-5-17-34)53-51(55-52)35-18-6-3-7-19-35;1-33-15-8-9-20-38(33)36-27-29-46-43(31-36)40-21-10-12-25-45(40)56(46)47-30-28-37(39-23-14-24-42-41-22-11-13-26-48(41)57-49(39)42)32-44(47)52-54-50(34-16-4-2-5-17-34)53-51(55-52)35-18-6-3-7-19-35;1-28-19-22-39-36(25-28)37-27-32(47(48,49)50)21-24-40(37)54(39)41-23-20-31(33-16-10-17-35-34-15-8-9-18-42(34)55-43(33)35)26-38(41)46-52-44(29-11-4-2-5-12-29)51-45(53-46)30-13-6-3-7-14-30/h3-36H,1-2H3;2*2-32H,1H3;2-27H,1H3 |
| InChIKey | JHINYPFLPDVEQI-UHFFFAOYSA-N |
| XLogP | 55.37 |
| TPSA | 226.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 233 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3005.51 |
| LogP ≤ 5 | 55.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |