C169H117F3N12O3 — CID 159071207
9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 159071207) has the molecular formula C169H117F3N12O3 and a molecular weight of 2420.87 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(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole.
| Compound Name | 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole |
|---|---|
| PubChem CID | 159071207 |
| Molecular Formula | C169H117F3N12O3 |
| Molecular Weight | 2420.87 g/mol |
| Exact Mass | 2418.93 |
| IUPAC Name | 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzofuran-4-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(-c3cccc4c3oc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1 |
| InChI | InChI=1S/C63H48N4O.C53H33F3N4O.C53H36N4O/c1-37-30-39(3)58(40(4)31-37)46-24-27-49-50-28-25-47(59-41(5)32-38(2)33-42(59)6)36-56(50)67(55(49)35-46)54-29-26-45(48-21-15-22-52-51-20-13-14-23-57(51)68-60(48)52)34-53(54)63-65-61(43-16-9-7-10-17-43)64-62(66-63)44-18-11-8-12-19-44;1-32-27-37(29-38(28-32)53(54,55)56)35-23-25-46-43(30-35)40-17-8-10-21-45(40)60(46)47-26-24-36(39-19-12-20-42-41-18-9-11-22-48(41)61-49(39)42)31-44(47)52-58-50(33-13-4-2-5-14-33)57-51(59-52)34-15-6-3-7-16-34;1-33-28-34(2)30-39(29-33)37-24-26-42-41-18-9-11-22-46(41)57(48(42)32-37)47-27-25-38(40-20-13-21-44-43-19-10-12-23-49(43)58-50(40)44)31-45(47)53-55-51(35-14-5-3-6-15-35)54-52(56-53)36-16-7-4-8-17-36/h7-36H,1-6H3;2-31H,1H3;3-32H,1-2H3 |
| InChIKey | JZRAMMSEHMEYPG-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 |