2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole

C48H31N3 — CID 143548276

About 2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole

2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole (PubChem CID 143548276) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole.

Molecular Properties

• Compound Name: 2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole
• PubChem CID: 143548276
• Molecular Formula: C48H31N3
• Molecular Weight: 649.80 g/mol
• Exact Mass: 649.25
• IUPAC Name: 2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-n4c(-c5cccc(-c6ccc7ccccc7c6)n5)nc5ccccc54)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C48H31N3/c1-2-14-33(15-3-1)46-38-17-6-8-19-40(38)47(41-20-9-7-18-39(41)46)34-27-29-37(30-28-34)51-45-24-11-10-21-43(45)50-48(51)44-23-12-22-42(49-44)36-26-25-32-13-4-5-16-35(32)31-36/h1-31H
• InChIKey: NMGUXHCKSJMLFI-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.80
LogP ≤ 5	12.55
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-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole?

The IUPAC name of 2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole (CID 143548276) is 2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole.

What is the SMILES notation for 2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole?

The canonical SMILES for 2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c(-c5cccc(-c6ccc7ccccc7c6)n5)nc5ccccc54)cc3)c3ccccc23)cc1.

What is the InChIKey of 2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole?

The InChIKey is NMGUXHCKSJMLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-2-14-33(15-3-1)46-38-17-6-8-19-40(38)47(41-20-9-7-18-39(41)46)34-27-29-37(30-28-34)51-45-24-11-10-21-43(45)50-48(51)44-23-12-22-42(49-44)36-26-25-32-13-4-5-16-35(32)31-36/h1-31H.

What are the key properties of 2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole?

2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole has a molecular weight of 649.80 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole is sourced from PubChem (CID 143548276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).