2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline

C104H68N4 — CID 159177643

About 2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline

2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline (PubChem CID 159177643) has the molecular formula C104H68N4 and a molecular weight of 1373.72 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline.

Molecular Properties

• Compound Name: 2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline
• PubChem CID: 159177643
• Molecular Formula: C104H68N4
• Molecular Weight: 1373.72 g/mol
• Exact Mass: 1372.54
• IUPAC Name: 2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6cccc7cccnc67)cc5)c5ccccc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6cnc7ccccc7c6)cc5)c5ccccc5c4n3)cc2)cc1
• InChI: InChI=1S/2C52H34N2/c1-3-11-35(12-4-1)37-19-25-41(26-20-37)48-33-51(42-29-23-38(24-30-42)36-13-5-2-6-14-36)54-52-46-17-9-8-16-45(46)47(32-49(48)52)40-27-21-39(22-28-40)44-31-43-15-7-10-18-50(43)53-34-44;1-3-11-35(12-4-1)37-20-24-41(25-21-37)48-34-50(42-30-22-38(23-31-42)36-13-5-2-6-14-36)54-52-46-18-8-7-17-45(46)47(33-49(48)52)40-28-26-39(27-29-40)44-19-9-15-43-16-10-32-53-51(43)44/h2*1-34H
• InChIKey: KMMDJEQJXAEOAB-UHFFFAOYSA-N
• XLogP: 27.88
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1373.72
LogP ≤ 5	27.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline?

The IUPAC name of 2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline (CID 159177643) is 2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline.

What is the SMILES notation for 2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline?

The canonical SMILES for 2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6cccc7cccnc67)cc5)c5ccccc5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6cnc7ccccc7c6)cc5)c5ccccc5c4n3)cc2)cc1.

What is the InChIKey of 2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline?

The InChIKey is KMMDJEQJXAEOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34N2/c1-3-11-35(12-4-1)37-19-25-41(26-20-37)48-33-51(42-29-23-38(24-30-42)36-13-5-2-6-14-36)54-52-46-17-9-8-16-45(46)47(32-49(48)52)40-27-21-39(22-28-40)44-31-43-15-7-10-18-50(43)53-34-44;1-3-11-35(12-4-1)37-20-24-41(25-21-37)48-34-50(42-30-22-38(23-31-42)36-13-5-2-6-14-36)54-52-46-18-8-7-17-45(46)47(33-49(48)52)40-28-26-39(27-29-40)44-19-9-15-43-16-10-32-53-51(43)44/h2*1-34H.

What are the key properties of 2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline?

2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline has a molecular weight of 1373.72 g/mol, XLogP of 27.88, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline is sourced from PubChem (CID 159177643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).