1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole

C53H34N2 — CID 59010615

About 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole

1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole (PubChem CID 59010615) has the molecular formula C53H34N2 and a molecular weight of 698.87 g/mol. Its IUPAC name is 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole.

Molecular Properties

• Compound Name: 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole
• PubChem CID: 59010615
• Molecular Formula: C53H34N2
• Molecular Weight: 698.87 g/mol
• Exact Mass: 698.27
• IUPAC Name: 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc(-n5c(-c6ccc(-c7cccc8ccccc78)cc6)nc6ccccc65)cc4)c4ccccc34)ccc2c1
• InChI: InChI=1S/C53H34N2/c1-2-14-40-34-41(29-24-35(40)12-1)52-47-19-7-5-17-45(47)51(46-18-6-8-20-48(46)52)38-30-32-42(33-31-38)55-50-23-10-9-22-49(50)54-53(55)39-27-25-37(26-28-39)44-21-11-15-36-13-3-4-16-43(36)44/h1-34H
• InChIKey: IBBHVJZNYBTMML-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.87
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole?

The IUPAC name of 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole (CID 59010615) is 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole.

What is the SMILES notation for 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole?

The canonical SMILES for 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-n5c(-c6ccc(-c7cccc8ccccc78)cc6)nc6ccccc65)cc4)c4ccccc34)ccc2c1.

What is the InChIKey of 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole?

The InChIKey is IBBHVJZNYBTMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2/c1-2-14-40-34-41(29-24-35(40)12-1)52-47-19-7-5-17-45(47)51(46-18-6-8-20-48(46)52)38-30-32-42(33-31-38)55-50-23-10-9-22-49(50)54-53(55)39-27-25-37(26-28-39)44-21-11-15-36-13-3-4-16-43(36)44/h1-34H.

What are the key properties of 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole?

1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole has a molecular weight of 698.87 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole is sourced from PubChem (CID 59010615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).