10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene

C50H32 — CID 58323203

About 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene

10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene (PubChem CID 58323203) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

• Compound Name: 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene
• PubChem CID: 58323203
• Molecular Formula: C50H32
• Molecular Weight: 632.81 g/mol
• Exact Mass: 632.25
• IUPAC Name: 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene
• SMILES: c1ccc2cc(-c3cccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c34)ccc2c1
• InChI: InChI=1S/C50H32/c1-2-15-38-32-39(31-26-33(38)12-1)43-23-11-25-47-49(44-24-10-17-35-14-4-6-19-42(35)44)46-21-8-7-20-45(46)48(50(43)47)37-29-27-36(28-30-37)41-22-9-16-34-13-3-5-18-40(34)41/h1-32H
• InChIKey: CLGIZBSSTZWMRT-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.81
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene?

The IUPAC name of 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene (CID 58323203) is 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene.

What is the SMILES notation for 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene?

The canonical SMILES for 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene is c1ccc2cc(-c3cccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c34)ccc2c1.

What is the InChIKey of 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene?

The InChIKey is CLGIZBSSTZWMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-15-38-32-39(31-26-33(38)12-1)43-23-11-25-47-49(44-24-10-17-35-14-4-6-19-42(35)44)46-21-8-7-20-45(46)48(50(43)47)37-29-27-36(28-30-37)41-22-9-16-34-13-3-5-18-40(34)41/h1-32H.

What are the key properties of 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene?

10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 58323203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).