5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

C42H26N4 — CID 155023236

About 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline

5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 155023236) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 155023236
• Molecular Formula: C42H26N4
• Molecular Weight: 586.70 g/mol
• Exact Mass: 586.22
• IUPAC Name: 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3cc(-c4ccc5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)cc6)nc5c4)ccc3n2)cc1
• InChI: InChI=1S/C42H26N4/c1-2-6-28(7-3-1)37-21-18-33-24-31(17-20-39(33)45-37)32-15-14-30-16-19-38(46-40(30)26-32)29-12-10-27(11-13-29)36-25-34-8-4-22-43-41(34)42-35(36)9-5-23-44-42/h1-26H
• InChIKey: LRXDKJWWNFDYEB-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 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 155023236) is 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3cc(-c4ccc5ccc(-c6ccc(-c7cc8cccnc8c8ncccc78)cc6)nc5c4)ccc3n2)cc1.

What is the InChIKey of 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

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

What are the key properties of 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline?

5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-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 5-[4-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 155023236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).