2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline

C52H34N2 — CID 70958913

About 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline

2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline (PubChem CID 70958913) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline.

Molecular Properties

• Compound Name: 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline
• PubChem CID: 70958913
• Molecular Formula: C52H34N2
• Molecular Weight: 686.86 g/mol
• Exact Mass: 686.27
• IUPAC Name: 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccc7ccccc7n6)cc5)c5ccccc5c4n3)cc2)cc1
• InChI: InChI=1S/C52H34N2/c1-3-11-35(12-4-1)37-19-23-40(24-20-37)47-34-51(43-27-21-38(22-28-43)36-13-5-2-6-14-36)54-52-45-17-9-8-16-44(45)46(33-48(47)52)39-25-29-42(30-26-39)50-32-31-41-15-7-10-18-49(41)53-50/h1-34H
• InChIKey: TYZZHKCGVYWEML-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.86
LogP ≤ 5	13.94
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 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline?

The IUPAC name of 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline (CID 70958913) is 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline.

What is the SMILES notation for 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline?

The canonical SMILES for 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccc7ccccc7n6)cc5)c5ccccc5c4n3)cc2)cc1.

What is the InChIKey of 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline?

The InChIKey is TYZZHKCGVYWEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-3-11-35(12-4-1)37-19-23-40(24-20-37)47-34-51(43-27-21-38(22-28-43)36-13-5-2-6-14-36)54-52-45-17-9-8-16-44(45)46(33-48(47)52)39-25-29-42(30-26-39)50-32-31-41-15-7-10-18-49(41)53-50/h1-34H.

What are the key properties of 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline?

2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline has a molecular weight of 686.86 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline is sourced from PubChem (CID 70958913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).