2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole

C51H34N2 — CID 167136922

About 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole

2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole (PubChem CID 167136922) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
• PubChem CID: 167136922
• Molecular Formula: C51H34N2
• Molecular Weight: 674.85 g/mol
• Exact Mass: 674.27
• IUPAC Name: 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4cc4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc34)c2)cc1
• InChI: InChI=1S/C51H34N2/c1-4-14-35(15-5-1)42-31-43(36-16-6-2-7-17-36)33-44(32-42)50-46-21-11-10-18-40(46)30-41-29-28-39(34-47(41)50)37-24-26-38(27-25-37)51-52-48-22-12-13-23-49(48)53(51)45-19-8-3-9-20-45/h1-34H
• InChIKey: VSKFAALBAXOQGT-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 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole?

The IUPAC name of 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole (CID 167136922) is 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole.

What is the SMILES notation for 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole?

The canonical SMILES for 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4cc4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc34)c2)cc1.

What is the InChIKey of 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole?

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

What are the key properties of 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole?

2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole 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 2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 167136922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).