6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline

C54H36N2 — CID 166569130

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

6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline (PubChem CID 166569130) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

• Compound Name: 6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline
• PubChem CID: 166569130
• Molecular Formula: C54H36N2
• Molecular Weight: 712.90 g/mol
• Exact Mass: 712.29
• IUPAC Name: 6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline
• SMILES: c1ccc(-c2cccc(-c3cc(-c4cc5nc(-c6ccccc6)cc(-c6ccccc6)c5c5ccccc45)cc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
• InChI: InChI=1S/C54H36N2/c1-5-17-37(18-6-1)41-25-15-27-43(31-41)50-33-45(34-51(55-50)44-28-16-26-42(32-44)38-19-7-2-8-20-38)48-35-53-54(47-30-14-13-29-46(47)48)49(39-21-9-3-10-22-39)36-52(56-53)40-23-11-4-12-24-40/h1-36H
• InChIKey: QZRGHHTWINGJOG-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-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline?

The IUPAC name of 6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline (CID 166569130) is 6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline.

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

The canonical SMILES for 6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cccc(-c3cc(-c4cc5nc(-c6ccccc6)cc(-c6ccccc6)c5c5ccccc45)cc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.

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

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

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

6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-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-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166569130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).