2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline

C42H26N4 — CID 176785151

About 2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline

2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline (PubChem CID 176785151) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline
• PubChem CID: 176785151
• Molecular Formula: C42H26N4
• Molecular Weight: 586.70 g/mol
• Exact Mass: 586.22
• IUPAC Name: 2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline
• SMILES: c1ccc(-c2nc3cccc(-c4ccc5ccc6ccc(-c7ccc8ccccc8c7)nc6c5n4)c3nc2-c2ccccc2)cc1
• InChI: InChI=1S/C42H26N4/c1-3-11-28(12-4-1)38-41(29-13-5-2-6-14-29)46-42-34(16-9-17-37(42)45-38)36-25-23-31-20-19-30-22-24-35(43-39(30)40(31)44-36)33-21-18-27-10-7-8-15-32(27)26-33/h1-26H
• InChIKey: WZDHLBHXRHYJSW-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.70
LogP ≤ 5	10.55
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-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline?

The IUPAC name of 2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline (CID 176785151) is 2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline.

What is the SMILES notation for 2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline?

The canonical SMILES for 2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline is c1ccc(-c2nc3cccc(-c4ccc5ccc6ccc(-c7ccc8ccccc8c7)nc6c5n4)c3nc2-c2ccccc2)cc1.

What is the InChIKey of 2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline?

The InChIKey is WZDHLBHXRHYJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-3-11-28(12-4-1)38-41(29-13-5-2-6-14-29)46-42-34(16-9-17-37(42)45-38)36-25-23-31-20-19-30-22-24-35(43-39(30)40(31)44-36)33-21-18-27-10-7-8-15-32(27)26-33/h1-26H.

What are the key properties of 2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline?

2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline has a molecular weight of 586.70 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline is sourced from PubChem (CID 176785151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).