C278H179F21N10O10 — CID 157080696
4-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1,8-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 157080696) has the molecular formula C278H179F21N10O10 and a molecular weight of 4218.51 g/mol. Its IUPAC name is 4-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1,8-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.
| Compound Name | 4-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1,8-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione |
|---|---|
| PubChem CID | 157080696 |
| Molecular Formula | C278H179F21N10O10 |
| Molecular Weight | 4218.51 g/mol |
| Exact Mass | 4215.35 |
| IUPAC Name | 4-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[1,8-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[1-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione |
| SMILES | Cc1cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C(F)(F)F)c4)ccc2n3-c2cccc3c2C(=O)N(c2ccc(-c4ccccc4)cc2-c2ccccc2)C3=O)cc(C(F)(F)F)c1.Cc1cc(-c2cccc3c4cccc(-c5cc(C)cc(C(F)(F)F)c5)c4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)cc(C(F)(F)F)c1.Cc1cc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)c1.Cc1cc(C)cc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)c1 |
| InChI | InChI=1S/2C60H38F6N2O2.C54H34F6N2O2.C52H33F3N2O2.C52H36N2O2/c1-35-27-41(31-43(29-35)59(61,62)63)45-21-12-23-47-48-24-13-22-46(42-28-36(2)30-44(32-42)60(64,65)66)55(48)67(54(45)47)52-26-14-25-49-53(52)58(70)68(57(49)69)56-50(38-17-8-4-9-18-38)33-40(37-15-6-3-7-16-37)34-51(56)39-19-10-5-11-20-39;1-35-25-36(2)27-42(26-35)40-21-23-47-48-24-22-41(43-28-45(59(61,62)63)34-46(29-43)60(64,65)66)33-54(48)67(53(47)32-40)52-20-12-19-49-55(52)58(70)68(57(49)69)56-50(38-15-8-4-9-16-38)30-44(37-13-6-3-7-14-37)31-51(56)39-17-10-5-11-18-39;1-31-22-38(26-40(24-31)53(55,56)57)36-17-20-47-44(29-36)45-30-37(39-23-32(2)25-41(27-39)54(58,59)60)18-21-48(45)61(47)49-15-9-14-42-50(49)52(64)62(51(42)63)46-19-16-35(33-10-5-3-6-11-33)28-43(46)34-12-7-4-8-13-34;1-32-27-37(29-38(28-32)52(53,54)55)39-22-13-23-41-40-21-11-12-25-45(40)56(48(39)41)46-26-14-24-42-47(46)51(59)57(50(42)58)49-43(34-17-7-3-8-18-34)30-36(33-15-5-2-6-16-33)31-44(49)35-19-9-4-10-20-35;1-33-27-34(2)29-39(28-33)38-25-26-42-41-21-12-13-23-46(41)53(48(42)32-38)47-24-14-22-43-49(47)52(56)54(51(43)55)50-44(36-17-8-4-9-18-36)30-40(35-15-6-3-7-16-35)31-45(50)37-19-10-5-11-20-37/h2*3-34H,1-2H3;3-30H,1-2H3;2-31H,1H3;3-32H,1-2H3 |
| InChIKey | ADMWSXCBHHDQHU-UHFFFAOYSA-N |
| XLogP | 74.50 |
| TPSA | 211.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 319 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4218.51 |
| LogP ≤ 5 | 74.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |