C230H143F21N16S4 — CID 157102012
2,7-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 157102012) has the molecular formula C230H143F21N16S4 and a molecular weight of 3658.01 g/mol. Its IUPAC name is 2,7-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzothiophen-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-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]carbazole |
|---|---|
| PubChem CID | 157102012 |
| Molecular Formula | C230H143F21N16S4 |
| Molecular Weight | 3658.01 g/mol |
| Exact Mass | 3655.02 |
| IUPAC Name | 2,7-bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]carbazole |
| SMILES | Cc1cc(-c2ccc3c4ccccc4n(-c4ccc(-c5cccc6sc7ccccc7c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4ccc(-c5cccc6sc7ccccc7c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1.FC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4sc5ccccc5c34)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(-c5cccc6sc7ccccc7c56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C63H48N4S.C61H32F12N4S.C53H30F6N4S.C53H33F3N4S/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)36-55(50)67(54(49)35-46)53-29-26-45(48-21-15-23-57-60(48)51-20-13-14-22-56(51)68-57)34-52(53)63-65-61(43-16-9-7-10-17-43)64-62(66-63)44-18-11-8-12-19-44;62-58(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;54-52(55,56)36-26-35(27-37(30-36)53(57,58)59)33-22-24-44-41(28-33)39-16-7-9-19-43(39)63(44)45-25-23-34(38-18-11-21-47-48(38)40-17-8-10-20-46(40)64-47)29-42(45)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/h7-36H,1-6H3;1-32H;1-30H;2-31H,1H3 |
| InChIKey | AFWJFKRZUGMKBI-UHFFFAOYSA-N |
| XLogP | 67.31 |
| TPSA | 174.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 271 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3658.01 |
| LogP ≤ 5 | 67.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |