2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline

C44H28N4 — CID 176785083

About 2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline

2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline (PubChem CID 176785083) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
• PubChem CID: 176785083
• Molecular Formula: C44H28N4
• Molecular Weight: 612.74 g/mol
• Exact Mass: 612.23
• IUPAC Name: 2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
• SMILES: c1ccc(-c2cccc(-c3ccc4ccc5ccc(-c6ccc7nc(-c8ccccc8)nc(-c8ccccc8)c7c6)nc5c4n3)c2)cc1
• InChI: InChI=1S/C44H28N4/c1-4-11-29(12-5-1)34-17-10-18-35(27-34)38-24-21-31-19-20-32-22-25-39(46-43(32)42(31)45-38)36-23-26-40-37(28-36)41(30-13-6-2-7-14-30)48-44(47-40)33-15-8-3-9-16-33/h1-28H
• InChIKey: JGFUJMKEBFPCSV-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.74
LogP ≤ 5	11.06
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-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline?

The IUPAC name of 2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline (CID 176785083) is 2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline.

What is the SMILES notation for 2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline?

The canonical SMILES for 2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline is c1ccc(-c2cccc(-c3ccc4ccc5ccc(-c6ccc7nc(-c8ccccc8)nc(-c8ccccc8)c7c6)nc5c4n3)c2)cc1.

What is the InChIKey of 2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline?

The InChIKey is JGFUJMKEBFPCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-4-11-29(12-5-1)34-17-10-18-35(27-34)38-24-21-31-19-20-32-22-25-39(46-43(32)42(31)45-38)36-23-26-40-37(28-36)41(30-13-6-2-7-14-30)48-44(47-40)33-15-8-3-9-16-33/h1-28H.

What are the key properties of 2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline?

2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline has a molecular weight of 612.74 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 176785083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).