5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

C60H34N8O10 — CID 159168436

About 5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (PubChem CID 159168436) has the molecular formula C60H34N8O10 and a molecular weight of 1026.98 g/mol. Its IUPAC name is 5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
• PubChem CID: 159168436
• Molecular Formula: C60H34N8O10
• Molecular Weight: 1026.98 g/mol
• Exact Mass: 1026.24
• IUPAC Name: 5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
• SMILES: Cc1ccc2[nH]c(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(O)c(-c8nc9ccc(N%10C(=O)c%11ccc(-c%12ccc%13c(c%12)C(=O)N(C)C%13=O)cc%11C%10=O)cc9[nH]8)c6)C7=O)cc5C4=O)cc3O)nc2c1
• InChI: InChI=1S/C60H34N8O10/c1-27-3-16-45-47(19-27)63-51(61-45)39-15-8-34(26-50(39)70)68-57(75)38-14-7-31(23-43(38)60(68)78)30-6-12-36-41(22-30)58(76)66(55(36)73)32-10-18-49(69)44(24-32)52-62-46-17-9-33(25-48(46)64-52)67-56(74)37-13-5-29(21-42(37)59(67)77)28-4-11-35-40(20-28)54(72)65(2)53(35)71/h3-26,69-70H,1-2H3,(H,61,63)(H,62,64)
• InChIKey: QEKQHVVSHSIHRX-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 247.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1026.98
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (CID 159168436) is 5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.

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

The canonical SMILES for 5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is Cc1ccc2[nH]c(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(O)c(-c8nc9ccc(N%10C(=O)c%11ccc(-c%12ccc%13c(c%12)C(=O)N(C)C%13=O)cc%11C%10=O)cc9[nH]8)c6)C7=O)cc5C4=O)cc3O)nc2c1.

What is the InChIKey of 5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?

The InChIKey is QEKQHVVSHSIHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N8O10/c1-27-3-16-45-47(19-27)63-51(61-45)39-15-8-34(26-50(39)70)68-57(75)38-14-7-31(23-43(38)60(68)78)30-6-12-36-41(22-30)58(76)66(55(36)73)32-10-18-49(69)44(24-32)52-62-46-17-9-33(25-48(46)64-52)67-56(74)37-13-5-29(21-42(37)59(67)77)28-4-11-35-40(20-28)54(72)65(2)53(35)71/h3-26,69-70H,1-2H3,(H,61,63)(H,62,64).

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

5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1026.98 g/mol, XLogP of 9.45, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2-hydroxy-5-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 159168436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).