1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole

C43H29N3 — CID 59010715

About 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole

1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole (PubChem CID 59010715) has the molecular formula C43H29N3 and a molecular weight of 587.73 g/mol. Its IUPAC name is 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole.

Molecular Properties

• Compound Name: 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole
• PubChem CID: 59010715
• Molecular Formula: C43H29N3
• Molecular Weight: 587.73 g/mol
• Exact Mass: 587.24
• IUPAC Name: 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole
• SMILES: Cn1c(-c2cccc(-c3ccccc3)n2)nc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21
• InChI: InChI=1S/C43H29N3/c1-46-40-25-24-32(27-39(40)45-43(46)38-21-11-20-37(44-38)29-13-3-2-4-14-29)42-35-18-9-7-16-33(35)41(34-17-8-10-19-36(34)42)31-23-22-28-12-5-6-15-30(28)26-31/h2-27H,1H3
• InChIKey: OUEAOVOAOOAHMW-UHFFFAOYSA-N
• XLogP: 11.10
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.73
LogP ≤ 5	11.10
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 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole?

The IUPAC name of 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole (CID 59010715) is 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole.

What is the SMILES notation for 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole?

The canonical SMILES for 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole is Cn1c(-c2cccc(-c3ccccc3)n2)nc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc21.

What is the InChIKey of 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole?

The InChIKey is OUEAOVOAOOAHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3/c1-46-40-25-24-32(27-39(40)45-43(46)38-21-11-20-37(44-38)29-13-3-2-4-14-29)42-35-18-9-7-16-33(35)41(34-17-8-10-19-36(34)42)31-23-22-28-12-5-6-15-30(28)26-31/h2-27H,1H3.

What are the key properties of 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole?

1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole has a molecular weight of 587.73 g/mol, XLogP of 11.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-2-(6-phenyl-2-pyridinyl)benzimidazole is sourced from PubChem (CID 59010715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).