C228H127F33N16O4 — CID 158902569
2,7-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 158902569) has the molecular formula C228H127F33N16O4 and a molecular weight of 3781.57 g/mol. Its IUPAC name is 2,7-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]carbazole.
| Compound Name | 2,7-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]carbazole |
|---|---|
| PubChem CID | 158902569 |
| Molecular Formula | C228H127F33N16O4 |
| Molecular Weight | 3781.57 g/mol |
| Exact Mass | 3778.97 |
| IUPAC Name | 2,7-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]carbazole |
| SMILES | Cc1cc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6oc7ccccc7c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-c2ccc3c(c2)c2cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc2n3-c2ccc(-c3cccc4oc5ccccc5c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.FC(F)(F)c1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4ccc(-c5cccc6oc7ccccc7c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1.FC(F)(F)c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6oc7ccccc7c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1 |
| InChI | InChI=1S/2C61H32F12N4O.C53H30F6N4O.C53H33F3N4O/c62-58(63,64)40-24-38(25-41(31-40)59(65,66)67)35-18-21-45-46-22-19-36(39-26-42(60(68,69)70)32-43(27-39)61(71,72)73)30-51(46)77(50(45)29-35)49-23-20-37(44-15-9-17-53-54(44)47-14-7-8-16-52(47)78-53)28-48(49)57-75-55(33-10-3-1-4-11-33)74-56(76-57)34-12-5-2-6-13-34;62-58(63,64)40-24-38(25-41(31-40)59(65,66)67)35-18-21-49-46(28-35)47-29-36(39-26-42(60(68,69)70)32-43(27-39)61(71,72)73)19-22-50(47)77(49)51-23-20-37(44-15-9-17-53-54(44)45-14-7-8-16-52(45)78-53)30-48(51)57-75-55(33-10-3-1-4-11-33)74-56(76-57)34-12-5-2-6-13-34;54-52(55,56)35-24-26-36(42(30-35)53(57,58)59)34-22-25-39-38-16-7-9-19-43(38)63(45(39)29-34)44-27-23-33(37-18-11-21-47-48(37)40-17-8-10-20-46(40)64-47)28-41(44)51-61-49(31-12-3-1-4-13-31)60-50(62-51)32-14-5-2-6-15-32;1-32-27-37(29-38(28-32)53(54,55)56)35-23-25-41-40-17-8-10-20-44(40)60(46(41)31-35)45-26-24-36(39-19-12-22-48-49(39)42-18-9-11-21-47(42)61-48)30-43(45)52-58-50(33-13-4-2-5-14-33)57-51(59-52)34-15-6-3-7-16-34/h2*1-32H;1-30H;2-31H,1H3 |
| InChIKey | JFQAYFWZOSOSHK-UHFFFAOYSA-N |
| XLogP | 67.66 |
| TPSA | 226.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 281 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3781.57 |
| LogP ≤ 5 | 67.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |