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

C59H34N6O10 — CID 157342534

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

5-[2-[4-[4-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (PubChem CID 157342534) has the molecular formula C59H34N6O10 and a molecular weight of 986.95 g/mol. Its IUPAC name is 5-[2-[4-[4-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[4-[4-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
• PubChem CID: 157342534
• Molecular Formula: C59H34N6O10
• Molecular Weight: 986.95 g/mol
• Exact Mass: 986.23
• IUPAC Name: 5-[2-[4-[4-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
• SMILES: Cc1ccc2[nH]c(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc(N9C(=O)c%10ccc(-c%11ccc%12c(c%11)C(=O)N(C)C%12=O)cc%10C9=O)cc8)cc6)C7=O)cc5C4=O)cc3O)nc2c1
• InChI: InChI=1S/C59H34N6O10/c1-29-3-22-48-49(23-29)61-51(60-48)43-21-12-36(28-50(43)66)65-56(71)42-20-7-33(27-47(42)59(65)74)32-6-19-41-46(26-32)58(73)64(55(41)70)35-10-15-38(16-11-35)75-37-13-8-34(9-14-37)63-54(69)40-18-5-31(25-45(40)57(63)72)30-4-17-39-44(24-30)53(68)62(2)52(39)67/h3-28,66H,1-2H3,(H,60,61)
• InChIKey: BGOJZLJSSBPWTA-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 207.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	986.95
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[2-[4-[4-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (CID 157342534) is 5-[2-[4-[4-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.

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

The canonical SMILES for 5-[2-[4-[4-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is Cc1ccc2[nH]c(-c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)N(c6ccc(Oc8ccc(N9C(=O)c%10ccc(-c%11ccc%12c(c%11)C(=O)N(C)C%12=O)cc%10C9=O)cc8)cc6)C7=O)cc5C4=O)cc3O)nc2c1.

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

The InChIKey is BGOJZLJSSBPWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N6O10/c1-29-3-22-48-49(23-29)61-51(60-48)43-21-12-36(28-50(43)66)65-56(71)42-20-7-33(27-47(42)59(65)74)32-6-19-41-46(26-32)58(73)64(55(41)70)35-10-15-38(16-11-35)75-37-13-8-34(9-14-37)63-54(69)40-18-5-31(25-45(40)57(63)72)30-4-17-39-44(24-30)53(68)62(2)52(39)67/h3-28,66H,1-2H3,(H,60,61).

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

5-[2-[4-[4-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione has a molecular weight of 986.95 g/mol, XLogP of 10.00, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[4-[5-[2-[3-hydroxy-4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 157342534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).