5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole

C104H84F6N6O15 — CID 158963296

About 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole

5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole (PubChem CID 158963296) has the molecular formula C104H84F6N6O15 and a molecular weight of 1771.83 g/mol. Its IUPAC name is 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole
• PubChem CID: 158963296
• Molecular Formula: C104H84F6N6O15
• Molecular Weight: 1771.83 g/mol
• Exact Mass: 1770.59
• IUPAC Name: 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole
• SMILES: CC.Cc1cc(C(C)(c2ccc(O)c(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)ccc1O.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C)c2)cc(C)c1C.Cc1nc2cc(C(C)(c3ccc4oc(C)nc4c3)C(F)(F)F)ccc2o1.O=C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C36H30N2O5.C34H23F3N2O7.C19H15F3N2O2.C13H10O.C2H6/c1-18-11-23(12-19(2)22(18)5)15-24-13-20(3)31(21(4)14-24)38-35(42)28-10-8-26(17-30(28)36(38)43)32(39)25-7-9-27-29(16-25)34(41)37(6)33(27)40;1-16-12-19(6-10-26(16)40)33(2,34(35,36)37)20-7-11-27(41)25(15-20)39-31(45)22-9-5-18(14-24(22)32(39)46)28(42)17-4-8-21-23(13-17)30(44)38(3)29(21)43;1-10-23-14-8-12(4-6-16(14)25-10)18(3,19(20,21)22)13-5-7-17-15(9-13)24-11(2)26-17;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h7-14,16-17H,15H2,1-6H3;4-15,40-41H,1-3H3;4-9H,1-3H3;1-10H;1-2H3
• InChIKey: JMWSOTCMCHVKEC-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 293.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1771.83
LogP ≤ 5	21.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole?

The IUPAC name of 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole (CID 158963296) is 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole.

What is the SMILES notation for 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole?

The canonical SMILES for 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole is CC.Cc1cc(C(C)(c2ccc(O)c(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)C(F)(F)F)ccc1O.Cc1cc(Cc2cc(C)c(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c(C)c2)cc(C)c1C.Cc1nc2cc(C(C)(c3ccc4oc(C)nc4c3)C(F)(F)F)ccc2o1.O=C(c1ccccc1)c1ccccc1.

What is the InChIKey of 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole?

The InChIKey is JMWSOTCMCHVKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O5.C34H23F3N2O7.C19H15F3N2O2.C13H10O.C2H6/c1-18-11-23(12-19(2)22(18)5)15-24-13-20(3)31(21(4)14-24)38-35(42)28-10-8-26(17-30(28)36(38)43)32(39)25-7-9-27-29(16-25)34(41)37(6)33(27)40;1-16-12-19(6-10-26(16)40)33(2,34(35,36)37)20-7-11-27(41)25(15-20)39-31(45)22-9-5-18(14-24(22)32(39)46)28(42)17-4-8-21-23(13-17)30(44)38(3)29(21)43;1-10-23-14-8-12(4-6-16(14)25-10)18(3,19(20,21)22)13-5-7-17-15(9-13)24-11(2)26-17;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h7-14,16-17H,15H2,1-6H3;4-15,40-41H,1-3H3;4-9H,1-3H3;1-10H;1-2H3.

What are the key properties of 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole?

5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole has a molecular weight of 1771.83 g/mol, XLogP of 21.01, 14 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;diphenylmethanone;ethane;5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione;2-methyl-5-[1,1,1-trifluoro-2-(2-methyl-1,3-benzoxazol-5-yl)propan-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 158963296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).