2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline

C47H30N4 — CID 134167705

About 2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline

2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 134167705) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline
• PubChem CID: 134167705
• Molecular Formula: C47H30N4
• Molecular Weight: 650.79 g/mol
• Exact Mass: 650.25
• IUPAC Name: 2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3nc(-c4cccc(-c5ccc6ccc7ccc(-c8ccc(-c9cccc%10ccccc9%10)cc8)nc7c6n5)c4)cn3c2)cc1
• InChI: InChI=1S/C47H30N4/c1-2-8-31(9-3-1)39-24-27-45-48-44(30-51(45)29-39)38-13-6-12-37(28-38)43-26-23-36-21-20-35-22-25-42(49-46(35)47(36)50-43)34-18-16-33(17-19-34)41-15-7-11-32-10-4-5-14-40(32)41/h1-30H
• InChIKey: OQCDCFIATAGZBS-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.79
LogP ≤ 5	11.92
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-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline?

The IUPAC name of 2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline (CID 134167705) is 2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3nc(-c4cccc(-c5ccc6ccc7ccc(-c8ccc(-c9cccc%10ccccc9%10)cc8)nc7c6n5)c4)cn3c2)cc1.

What is the InChIKey of 2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline?

The InChIKey is OQCDCFIATAGZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-2-8-31(9-3-1)39-24-27-45-48-44(30-51(45)29-39)38-13-6-12-37(28-38)43-26-23-36-21-20-35-22-25-42(49-46(35)47(36)50-43)34-18-16-33(17-19-34)41-15-7-11-32-10-4-5-14-40(32)41/h1-30H.

What are the key properties of 2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline?

2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 650.79 g/mol, XLogP of 11.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-naphthalen-1-ylphenyl)-9-[3-(6-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 134167705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).