10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene

C52H34 — CID 58323114

About 10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene

10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene (PubChem CID 58323114) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene.

Molecular Properties

• Compound Name: 10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene
• PubChem CID: 58323114
• Molecular Formula: C52H34
• Molecular Weight: 658.84 g/mol
• Exact Mass: 658.27
• IUPAC Name: 10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene
• SMILES: c1ccc(-c2ccc(-c3cccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c34)cc2)cc1
• InChI: InChI=1S/C52H34/c1-2-13-35(14-3-1)37-27-30-39(31-28-37)45-24-12-26-49-51(46-25-11-18-38-16-6-7-21-44(38)46)48-23-9-8-22-47(48)50(52(45)49)43-20-10-19-41(34-43)42-32-29-36-15-4-5-17-40(36)33-42/h1-34H
• InChIKey: QJLQBUMGCAJDOE-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.84
LogP ≤ 5	14.63
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-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene?

The IUPAC name of 10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene (CID 58323114) is 10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene.

What is the SMILES notation for 10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene?

The canonical SMILES for 10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene is c1ccc(-c2ccc(-c3cccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc(-c6ccc7ccccc7c6)c5)c34)cc2)cc1.

What is the InChIKey of 10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene?

The InChIKey is QJLQBUMGCAJDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-2-13-35(14-3-1)37-27-30-39(31-28-37)45-24-12-26-49-51(46-25-11-18-38-16-6-7-21-44(38)46)48-23-9-8-22-47(48)50(52(45)49)43-20-10-19-41(34-43)42-32-29-36-15-4-5-17-40(36)33-42/h1-34H.

What are the key properties of 10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene?

10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene has a molecular weight of 658.84 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene is sourced from PubChem (CID 58323114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).