C169H117F3N12O3 — CID 161020117
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 161020117) has the molecular formula C169H117F3N12O3 and a molecular weight of 2420.87 g/mol. Its IUPAC name is 9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole.
| Compound Name | 9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole |
|---|---|
| PubChem CID | 161020117 |
| Molecular Formula | C169H117F3N12O3 |
| Molecular Weight | 2420.87 g/mol |
| Exact Mass | 2418.93 |
| IUPAC Name | 9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole |
| SMILES | Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1 |
| InChI | InChI=1S/C63H48N4O.C53H33F3N4O.C53H36N4O/c1-37-29-39(3)59(40(4)30-37)47-22-25-49-50-26-23-48(60-41(5)31-38(2)32-42(60)6)35-56(50)67(55(49)34-47)54-28-24-45(46-21-27-52-51-19-13-14-20-57(51)68-58(52)36-46)33-53(54)63-65-61(43-15-9-7-10-16-43)64-62(66-63)44-17-11-8-12-18-44;1-32-26-38(28-39(27-32)53(54,55)56)36-22-24-46-43(29-36)40-16-8-10-18-45(40)60(46)47-25-21-35(37-20-23-42-41-17-9-11-19-48(41)61-49(42)31-37)30-44(47)52-58-50(33-12-4-2-5-13-33)57-51(59-52)34-14-6-3-7-15-34;1-33-27-34(2)29-40(28-33)38-21-24-42-41-17-9-11-19-46(41)57(48(42)31-38)47-26-23-37(39-22-25-44-43-18-10-12-20-49(43)58-50(44)32-39)30-45(47)53-55-51(35-13-5-3-6-14-35)54-52(56-53)36-15-7-4-8-16-36/h7-36H,1-6H3;2-31H,1H3;3-32H,1-2H3 |
| InChIKey | TYGFZISWQUXHDA-UHFFFAOYSA-N |
| XLogP | 45.07 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 187 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2420.87 |
| LogP ≤ 5 | 45.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |