C273H177F9N12O12 — CID 157475988
4-(1-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(2-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 157475988) has the molecular formula C273H177F9N12O12 and a molecular weight of 3988.47 g/mol. Its IUPAC name is 4-(1-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(2-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.
| Compound Name | 4-(1-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(2-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione |
|---|---|
| PubChem CID | 157475988 |
| Molecular Formula | C273H177F9N12O12 |
| Molecular Weight | 3988.47 g/mol |
| Exact Mass | 3985.35 |
| IUPAC Name | 4-(1-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(2-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-methylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[1-methyl-8-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione |
| SMILES | Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cccc2c1C(=O)N(c1c(-c3ccccc3)cc(-c3ccccc3)cc1-c1ccccc1)C2=O.Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1c(-c3ccccc3)cc(-c3ccccc3)cc1-c1ccccc1)C2=O.Cc1ccc2c3ccc(C(F)(F)F)cc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c2c1.Cc1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c2c1.Cc1cccc2c3cccc(C(F)(F)F)c3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c12.Cc1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c12 |
| InChI | InChI=1S/3C46H29F3N2O2.3C45H30N2O2/c1-28-14-11-21-33-34-22-12-24-38(46(47,48)49)43(34)50(41(28)33)39-25-13-23-35-40(39)45(53)51(44(35)52)42-36(30-17-7-3-8-18-30)26-32(29-15-5-2-6-16-29)27-37(42)31-19-9-4-10-20-31;1-28-20-22-34-35-23-21-33(46(47,48)49)27-41(35)50(40(34)24-28)39-19-11-18-36-42(39)45(53)51(44(36)52)43-37(30-14-7-3-8-15-30)25-32(29-12-5-2-6-13-29)26-38(43)31-16-9-4-10-17-31;1-28-20-22-39-37(24-28)38-27-33(46(47,48)49)21-23-40(38)50(39)41-19-11-18-34-42(41)45(53)51(44(34)52)43-35(30-14-7-3-8-15-30)25-32(29-12-5-2-6-13-29)26-36(43)31-16-9-4-10-17-31;1-29-15-13-23-35-34-22-11-12-25-39(34)46(42(29)35)40-26-14-24-36-41(40)45(49)47(44(36)48)43-37(31-18-7-3-8-19-31)27-33(30-16-5-2-6-17-30)28-38(43)32-20-9-4-10-21-32;1-29-24-25-35-34-20-11-12-22-39(34)46(41(35)26-29)40-23-13-21-36-42(40)45(49)47(44(36)48)43-37(31-16-7-3-8-17-31)27-33(30-14-5-2-6-15-30)28-38(43)32-18-9-4-10-19-32;1-29-24-25-40-38(26-29)34-20-11-12-22-39(34)46(40)41-23-13-21-35-42(41)45(49)47(44(35)48)43-36(31-16-7-3-8-17-31)27-33(30-14-5-2-6-15-30)28-37(43)32-18-9-4-10-19-32/h3*2-27H,1H3;3*2-28H,1H3 |
| InChIKey | BVPDUPSCMOFYAY-UHFFFAOYSA-N |
| XLogP | 68.42 |
| TPSA | 253.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 306 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3988.47 |
| LogP ≤ 5 | 68.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |