2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride

C32H18Cl2N2O6 — CID 155899332

About 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride

2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride (PubChem CID 155899332) has the molecular formula C32H18Cl2N2O6 and a molecular weight of 597.41 g/mol. Its IUPAC name is 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride.

Molecular Properties

• Compound Name: 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride
• PubChem CID: 155899332
• Molecular Formula: C32H18Cl2N2O6
• Molecular Weight: 597.41 g/mol
• Exact Mass: 596.05
• IUPAC Name: 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride
• SMILES: Cc1cc(N2C(=O)c3ccc(C(=O)Cl)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Cl)cc3C2=O)cc1C
• InChI: InChI=1S/C32H18Cl2N2O6/c1-15-11-19(35-29(39)23-7-3-17(27(33)37)13-25(23)31(35)41)5-9-21(15)22-10-6-20(12-16(22)2)36-30(40)24-8-4-18(28(34)38)14-26(24)32(36)42/h3-14H,1-2H3
• InChIKey: NMXANUDIHJTOKA-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 108.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.41
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride?

The IUPAC name of 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride (CID 155899332) is 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride.

What is the SMILES notation for 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride?

The canonical SMILES for 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride is Cc1cc(N2C(=O)c3ccc(C(=O)Cl)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Cl)cc3C2=O)cc1C.

What is the InChIKey of 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride?

The InChIKey is NMXANUDIHJTOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18Cl2N2O6/c1-15-11-19(35-29(39)23-7-3-17(27(33)37)13-25(23)31(35)41)5-9-21(15)22-10-6-20(12-16(22)2)36-30(40)24-8-4-18(28(34)38)14-26(24)32(36)42/h3-14H,1-2H3.

What are the key properties of 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride?

2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride has a molecular weight of 597.41 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride is sourced from PubChem (CID 155899332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).