2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline

C43H27N5 — CID 171731995

About 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline

2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline (PubChem CID 171731995) has the molecular formula C43H27N5 and a molecular weight of 613.72 g/mol. Its IUPAC name is 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
• PubChem CID: 171731995
• Molecular Formula: C43H27N5
• Molecular Weight: 613.72 g/mol
• Exact Mass: 613.23
• IUPAC Name: 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3c(-c4ccccc4-c4nc(-c5ccccc5)nc5ccccc45)cc4ccc(-c5ccccn5)nc4c3n2)cc1
• InChI: InChI=1S/C43H27N5/c1-3-13-28(14-4-1)36-25-23-33-35(27-30-22-24-39(38-21-11-12-26-44-38)46-40(30)42(33)45-36)31-17-7-8-18-32(31)41-34-19-9-10-20-37(34)47-43(48-41)29-15-5-2-6-16-29/h1-27H
• InChIKey: GLYDCOUIWKMSSH-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.72
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline?

The IUPAC name of 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline (CID 171731995) is 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline.

What is the SMILES notation for 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline?

The canonical SMILES for 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline is c1ccc(-c2ccc3c(-c4ccccc4-c4nc(-c5ccccc5)nc5ccccc45)cc4ccc(-c5ccccn5)nc4c3n2)cc1.

What is the InChIKey of 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline?

The InChIKey is GLYDCOUIWKMSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5/c1-3-13-28(14-4-1)36-25-23-33-35(27-30-22-24-39(38-21-11-12-26-44-38)46-40(30)42(33)45-36)31-17-7-8-18-32(31)41-34-19-9-10-20-37(34)47-43(48-41)29-15-5-2-6-16-29/h1-27H.

What are the key properties of 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline?

2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline has a molecular weight of 613.72 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-5-[2-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 171731995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).