7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline

C52H34N4 — CID 166568805

About 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline

7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline (PubChem CID 166568805) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

• Compound Name: 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline
• PubChem CID: 166568805
• Molecular Formula: C52H34N4
• Molecular Weight: 714.87 g/mol
• Exact Mass: 714.28
• IUPAC Name: 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4ccc4nc(-c6ccccc6)cc(-c6ccccc6)c45)n3)c2)cc1
• InChI: InChI=1S/C52H34N4/c1-6-17-35(18-7-1)40-31-41(36-19-8-2-9-20-36)33-42(32-40)51-54-50(39-25-14-5-15-26-39)55-52(56-51)45-28-16-27-44-43(45)29-30-47-49(44)46(37-21-10-3-11-22-37)34-48(53-47)38-23-12-4-13-24-38/h1-34H
• InChIKey: DRANMWKAXUSCLY-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.87
LogP ≤ 5	13.24
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 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline?

The IUPAC name of 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline (CID 166568805) is 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline.

What is the SMILES notation for 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline?

The canonical SMILES for 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4cccc5c4ccc4nc(-c6ccccc6)cc(-c6ccccc6)c45)n3)c2)cc1.

What is the InChIKey of 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline?

The InChIKey is DRANMWKAXUSCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-6-17-35(18-7-1)40-31-41(36-19-8-2-9-20-36)33-42(32-40)51-54-50(39-25-14-5-15-26-39)55-52(56-51)45-28-16-27-44-43(45)29-30-47-49(44)46(37-21-10-3-11-22-37)34-48(53-47)38-23-12-4-13-24-38/h1-34H.

What are the key properties of 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline?

7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline has a molecular weight of 714.87 g/mol, XLogP of 13.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166568805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).