6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline

C54H36N2 — CID 166568781

About 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline

6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline (PubChem CID 166568781) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

• Compound Name: 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
• PubChem CID: 166568781
• Molecular Formula: C54H36N2
• Molecular Weight: 712.90 g/mol
• Exact Mass: 712.29
• IUPAC Name: 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc6nc(-c7ccccc7)cc(-c7ccccc7)c6c6ccccc56)cc4)cc3)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C54H36N2/c1-5-15-40(16-6-1)49-36-52(44-21-11-4-12-22-44)56-53-35-48(46-23-13-14-24-47(46)54(49)53)41-31-29-38(30-32-41)37-25-27-39(28-26-37)45-33-50(42-17-7-2-8-18-42)55-51(34-45)43-19-9-3-10-20-43/h1-36H
• InChIKey: OVZWFGCFFACUAH-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.90
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline?

The IUPAC name of 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline (CID 166568781) is 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline.

What is the SMILES notation for 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline?

The canonical SMILES for 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc6nc(-c7ccccc7)cc(-c7ccccc7)c6c6ccccc56)cc4)cc3)cc(-c3ccccc3)n2)cc1.

What is the InChIKey of 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline?

The InChIKey is OVZWFGCFFACUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-5-15-40(16-6-1)49-36-52(44-21-11-4-12-22-44)56-53-35-48(46-23-13-14-24-47(46)54(49)53)41-31-29-38(30-32-41)37-25-27-39(28-26-37)45-33-50(42-17-7-2-8-18-42)55-51(34-45)43-19-9-3-10-20-43/h1-36H.

What are the key properties of 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline?

6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline has a molecular weight of 712.90 g/mol, XLogP of 14.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166568781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).