2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole

C54H35N3 — CID 59010716

About 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole

2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole (PubChem CID 59010716) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole.

Molecular Properties

• Compound Name: 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole
• PubChem CID: 59010716
• Molecular Formula: C54H35N3
• Molecular Weight: 725.90 g/mol
• Exact Mass: 725.28
• IUPAC Name: 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole
• SMILES: c1ccc(-c2cc(-c3nc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc4n3-c3ccccc3)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C54H35N3/c1-4-17-37(18-5-1)48-34-42(35-49(55-48)38-19-6-2-7-20-38)54-56-50-33-41(30-31-51(50)57(54)43-22-8-3-9-23-43)53-46-26-14-12-24-44(46)52(45-25-13-15-27-47(45)53)40-29-28-36-16-10-11-21-39(36)32-40/h1-35H
• InChIKey: URRUWNDAYILXRR-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.90
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole?

The IUPAC name of 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole (CID 59010716) is 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole.

What is the SMILES notation for 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole?

The canonical SMILES for 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole is c1ccc(-c2cc(-c3nc4cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc4n3-c3ccccc3)cc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole?

The InChIKey is URRUWNDAYILXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-4-17-37(18-5-1)48-34-42(35-49(55-48)38-19-6-2-7-20-38)54-56-50-33-41(30-31-51(50)57(54)43-22-8-3-9-23-43)53-46-26-14-12-24-44(46)52(45-25-13-15-27-47(45)53)40-29-28-36-16-10-11-21-39(36)32-40/h1-35H.

What are the key properties of 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole?

2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole has a molecular weight of 725.90 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole is sourced from PubChem (CID 59010716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).