4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

C52H28N6O9 — CID 140917485

About 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (PubChem CID 140917485) has the molecular formula C52H28N6O9 and a molecular weight of 880.83 g/mol. Its IUPAC name is 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
• PubChem CID: 140917485
• Molecular Formula: C52H28N6O9
• Molecular Weight: 880.83 g/mol
• Exact Mass: 880.19
• IUPAC Name: 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
• SMILES: CN1C(=O)c2cccc(-c3ccc4c(c3)C(=O)N(c3ccc(-c5nc6cc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(c9ccccc9)C%10=O)cc8C7=O)ccc6[nH]5)c(O)c3)C4=O)c2C1=O
• InChI: InChI=1S/C52H28N6O9/c1-55-45(60)36-9-5-8-31(43(36)52(55)67)27-12-17-34-39(22-27)51(66)58(48(34)63)30-13-18-35(42(59)24-30)44-53-40-19-14-29(23-41(40)54-44)57-47(62)33-16-11-26(21-38(33)50(57)65)25-10-15-32-37(20-25)49(64)56(46(32)61)28-6-3-2-4-7-28/h2-24,59H,1H3,(H,53,54)
• InChIKey: IVXUPXQMPKIJHO-UHFFFAOYSA-N
• XLogP: 7.90
• TPSA: 198.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.83
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?

The IUPAC name of 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (CID 140917485) is 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.

What is the SMILES notation for 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?

The canonical SMILES for 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is CN1C(=O)c2cccc(-c3ccc4c(c3)C(=O)N(c3ccc(-c5nc6cc(N7C(=O)c8ccc(-c9ccc%10c(c9)C(=O)N(c9ccccc9)C%10=O)cc8C7=O)ccc6[nH]5)c(O)c3)C4=O)c2C1=O.

What is the InChIKey of 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?

The InChIKey is IVXUPXQMPKIJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28N6O9/c1-55-45(60)36-9-5-8-31(43(36)52(55)67)27-12-17-34-39(22-27)51(66)58(48(34)63)30-13-18-35(42(59)24-30)44-53-40-19-14-29(23-41(40)54-44)57-47(62)33-16-11-26(21-38(33)50(57)65)25-10-15-32-37(20-25)49(64)56(46(32)61)28-6-3-2-4-7-28/h2-24,59H,1H3,(H,53,54).

What are the key properties of 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?

4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione has a molecular weight of 880.83 g/mol, XLogP of 7.90, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[5-[5-(1,3-dioxo-2-phenylisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-1H-benzimidazol-2-yl]-3-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 140917485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).