1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline

C54H36N2 — CID 166568688

About 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline

1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline (PubChem CID 166568688) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline.

Molecular Properties

• Compound Name: 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline
• PubChem CID: 166568688
• Molecular Formula: C54H36N2
• Molecular Weight: 712.90 g/mol
• Exact Mass: 712.29
• IUPAC Name: 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline
• SMILES: c1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccc6c5ccc5nc(-c7ccccc7)cc(-c7ccccc7)c56)c4)cc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C54H36N2/c1-5-16-37(17-6-1)41-24-14-27-44(33-41)52-35-45(34-51(56-52)39-20-9-3-10-21-39)42-25-13-26-43(32-42)46-28-15-29-48-47(46)30-31-50-54(48)49(38-18-7-2-8-19-38)36-53(55-50)40-22-11-4-12-23-40/h1-36H
• InChIKey: HEOMBXJXADYICC-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 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline?

The IUPAC name of 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline (CID 166568688) is 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline.

What is the SMILES notation for 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline?

The canonical SMILES for 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5cccc6c5ccc5nc(-c7ccccc7)cc(-c7ccccc7)c56)c4)cc(-c4ccccc4)n3)c2)cc1.

What is the InChIKey of 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline?

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

What are the key properties of 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline?

1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[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 1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline is sourced from PubChem (CID 166568688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).