5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione

C36H30N2O5 — CID 71248232

About 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione

5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione (PubChem CID 71248232) has the molecular formula C36H30N2O5 and a molecular weight of 570.65 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.

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
• PubChem CID: 71248232
• Molecular Formula: C36H30N2O5
• Molecular Weight: 570.65 g/mol
• Exact Mass: 570.22
• IUPAC Name: 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
• SMILES: 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
• InChI: InChI=1S/C36H30N2O5/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/h7-14,16-17H,15H2,1-6H3
• InChIKey: QVQPMSBNOYMADU-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 91.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.65
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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?

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 (CID 71248232) is 5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione.

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?

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 is 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.

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?

The InChIKey is QVQPMSBNOYMADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O5/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/h7-14,16-17H,15H2,1-6H3.

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?

5-[2-[2,6-dimethyl-4-[(3,4,5-trimethylphenyl)methyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione has a molecular weight of 570.65 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 71248232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).