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

C58H38N4 — CID 166569171

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

7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline (PubChem CID 166569171) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

• Compound Name: 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
• PubChem CID: 166569171
• Molecular Formula: C58H38N4
• Molecular Weight: 790.97 g/mol
• Exact Mass: 790.31
• IUPAC Name: 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6c5ccc5nc(-c7ccccc7)cc(-c7ccccc7)c56)cc4)n3)cc2)cc1
• InChI: InChI=1S/C58H38N4/c1-5-14-39(15-6-1)41-24-30-46(31-25-41)56-60-57(47-32-26-42(27-33-47)40-16-7-2-8-17-40)62-58(61-56)48-34-28-44(29-35-48)49-22-13-23-51-50(49)36-37-53-55(51)52(43-18-9-3-10-19-43)38-54(59-53)45-20-11-4-12-21-45/h1-38H
• InChIKey: AZLSXYZLGCKXOY-UHFFFAOYSA-N
• XLogP: 14.91
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.97
LogP ≤ 5	14.91
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-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline?

The IUPAC name of 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline (CID 166569171) is 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline.

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

The canonical SMILES for 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc6c5ccc5nc(-c7ccccc7)cc(-c7ccccc7)c56)cc4)n3)cc2)cc1.

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

The InChIKey is AZLSXYZLGCKXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-5-14-39(15-6-1)41-24-30-46(31-25-41)56-60-57(47-32-26-42(27-33-47)40-16-7-2-8-17-40)62-58(61-56)48-34-28-44(29-35-48)49-22-13-23-51-50(49)36-37-53-55(51)52(43-18-9-3-10-19-43)38-54(59-53)45-20-11-4-12-21-45/h1-38H.

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

7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline has a molecular weight of 790.97 g/mol, XLogP of 14.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166569171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).