C140H85F9N12O3 — CID 158958809
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole (PubChem CID 158958809) has the molecular formula C140H85F9N12O3 and a molecular weight of 2154.28 g/mol. Its IUPAC name is 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole.
| Compound Name | 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole |
|---|---|
| PubChem CID | 158958809 |
| Molecular Formula | C140H85F9N12O3 |
| Molecular Weight | 2154.28 g/mol |
| Exact Mass | 2152.67 |
| IUPAC Name | 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole |
| SMILES | Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1ccc2c3ccc(C(F)(F)F)cc3n(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3oc4ccccc4c3c2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1 |
| InChI | InChI=1S/2C47H29F3N4O.C46H27F3N4O/c1-28-16-20-34-35-21-19-33(47(48,49)50)27-41(35)54(40(34)24-28)39-22-17-31(32-18-23-43-37(25-32)36-14-8-9-15-42(36)55-43)26-38(39)46-52-44(29-10-4-2-5-11-29)51-45(53-46)30-12-6-3-7-13-30;1-28-16-20-39-35(24-28)36-27-33(47(48,49)50)19-22-40(36)54(39)41-21-17-31(32-18-23-43-37(25-32)34-14-8-9-15-42(34)55-43)26-38(41)46-52-44(29-10-4-2-5-11-29)51-45(53-46)30-12-6-3-7-13-30;47-46(48,49)32-21-23-39-35(27-32)33-15-7-9-17-38(33)53(39)40-22-19-30(31-20-24-42-36(25-31)34-16-8-10-18-41(34)54-42)26-37(40)45-51-43(28-11-3-1-4-12-28)50-44(52-45)29-13-5-2-6-14-29/h2*2-27H,1H3;1-27H |
| InChIKey | JMIWJVPZOKRZDP-UHFFFAOYSA-N |
| XLogP | 38.28 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2154.28 |
| LogP ≤ 5 | 38.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |