1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole

C51H34N2 — CID 59010697

About 1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole

1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole (PubChem CID 59010697) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole.

Molecular Properties

• Compound Name: 1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
• PubChem CID: 59010697
• Molecular Formula: C51H34N2
• Molecular Weight: 674.85 g/mol
• Exact Mass: 674.27
• IUPAC Name: 1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
• SMILES: c1ccc(-c2cccc(-c3nc4cc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)ccc4n3-c3ccccc3)c2)cc1
• InChI: InChI=1S/C51H34N2/c1-4-17-35(18-5-1)37-21-16-22-39(33-37)51-52-47-34-38(31-32-48(47)53(51)40-23-8-3-9-24-40)49-43-27-12-14-29-45(43)50(46-30-15-13-28-44(46)49)42-26-11-10-25-41(42)36-19-6-2-7-20-36/h1-34H
• InChIKey: SVKAANPFFVNVGS-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.85
LogP ≤ 5	13.67
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-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole?

The IUPAC name of 1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole (CID 59010697) is 1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole.

What is the SMILES notation for 1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole?

The canonical SMILES for 1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole is c1ccc(-c2cccc(-c3nc4cc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)ccc4n3-c3ccccc3)c2)cc1.

What is the InChIKey of 1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole?

The InChIKey is SVKAANPFFVNVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-4-17-35(18-5-1)37-21-16-22-39(33-37)51-52-47-34-38(31-32-48(47)53(51)40-23-8-3-9-24-40)49-43-27-12-14-29-45(43)50(46-30-15-13-28-44(46)49)42-26-11-10-25-41(42)36-19-6-2-7-20-36/h1-34H.

What are the key properties of 1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole?

1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole has a molecular weight of 674.85 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole is sourced from PubChem (CID 59010697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).