1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium

C52H38N4O+4 — CID 59839158

About 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium

1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium (PubChem CID 59839158) has the molecular formula C52H38N4O+4 and a molecular weight of 734.90 g/mol. Its IUPAC name is 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium.

Molecular Properties

• Compound Name: 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
• PubChem CID: 59839158
• Molecular Formula: C52H38N4O+4
• Molecular Weight: 734.90 g/mol
• Exact Mass: 734.30
• IUPAC Name: 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
• SMILES: c1ccc2c(-[n+]3ccc(-c4cc[n+](-c5ccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9cccc%10ccccc9%10)cc8)cc7)cc6)cc5)cc4)cc3)cccc2c1
• InChI: InChI=1S/C52H38N4O/c1-3-11-49-43(7-1)9-5-13-51(49)55-35-27-41(28-36-55)39-23-31-53(32-24-39)45-15-19-47(20-16-45)57-48-21-17-46(18-22-48)54-33-25-40(26-34-54)42-29-37-56(38-30-42)52-14-6-10-44-8-2-4-12-50(44)52/h1-38H/q+4
• InChIKey: IDVQVNXLDMNWLY-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 24.75 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.90
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium?

The IUPAC name of 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium (CID 59839158) is 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium.

What is the SMILES notation for 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium?

The canonical SMILES for 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium is c1ccc2c(-[n+]3ccc(-c4cc[n+](-c5ccc(Oc6ccc(-[n+]7ccc(-c8cc[n+](-c9cccc%10ccccc9%10)cc8)cc7)cc6)cc5)cc4)cc3)cccc2c1.

What is the InChIKey of 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium?

The InChIKey is IDVQVNXLDMNWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4O/c1-3-11-49-43(7-1)9-5-13-51(49)55-35-27-41(28-36-55)39-23-31-53(32-24-39)45-15-19-47(20-16-45)57-48-21-17-46(18-22-48)54-33-25-40(26-34-54)42-29-37-56(38-30-42)52-14-6-10-44-8-2-4-12-50(44)52/h1-38H/q+4.

What are the key properties of 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium?

1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium has a molecular weight of 734.90 g/mol, XLogP of 10.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-naphthalen-1-yl-4-[1-[4-[4-[4-(1-naphthalen-1-ylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium is sourced from PubChem (CID 59839158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).