2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine

C51H33N — CID 130355484

About 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine

2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine (PubChem CID 130355484) has the molecular formula C51H33N and a molecular weight of 659.83 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine
• PubChem CID: 130355484
• Molecular Formula: C51H33N
• Molecular Weight: 659.83 g/mol
• Exact Mass: 659.26
• IUPAC Name: 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine
• SMILES: c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccc5ccccc5c4)c3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
• InChI: InChI=1S/C51H33N/c1-3-13-34(14-4-1)40-28-41(38-25-26-48-46-21-10-9-19-44(46)45-20-11-12-22-47(45)49(48)31-38)30-42(29-40)43-32-50(36-16-5-2-6-17-36)52-51(33-43)39-24-23-35-15-7-8-18-37(35)27-39/h1-33H
• InChIKey: NUIGTSUTAXJMMY-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.83
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine?

The IUPAC name of 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine (CID 130355484) is 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine.

What is the SMILES notation for 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine?

The canonical SMILES for 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine is c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccc5ccccc5c4)c3)cc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.

What is the InChIKey of 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine?

The InChIKey is NUIGTSUTAXJMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N/c1-3-13-34(14-4-1)40-28-41(38-25-26-48-46-21-10-9-19-44(46)45-20-11-12-22-47(45)49(48)31-38)30-42(29-40)43-32-50(36-16-5-2-6-17-36)52-51(33-43)39-24-23-35-15-7-8-18-37(35)27-39/h1-33H.

What are the key properties of 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine?

2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine has a molecular weight of 659.83 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine is sourced from PubChem (CID 130355484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).