9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene

C52H34 — CID 123334632

About 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene

9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene (PubChem CID 123334632) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

• Compound Name: 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
• PubChem CID: 123334632
• Molecular Formula: C52H34
• Molecular Weight: 658.84 g/mol
• Exact Mass: 658.27
• IUPAC Name: 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
• SMILES: c1ccc(-c2ccccc2-c2ccc3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)cc3c2)cc1
• InChI: InChI=1S/C52H34/c1-2-13-38(14-3-1)45-16-6-7-17-46(45)42-30-25-37-26-31-43(34-44(37)33-42)52-49-20-10-8-18-47(49)51(48-19-9-11-21-50(48)52)39-27-22-36(23-28-39)41-29-24-35-12-4-5-15-40(35)32-41/h1-34H
• InChIKey: PQXRXJVLSYZVBL-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 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene?

The IUPAC name of 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene (CID 123334632) is 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene.

What is the SMILES notation for 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene?

The canonical SMILES for 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene is c1ccc(-c2ccccc2-c2ccc3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)cc3c2)cc1.

What is the InChIKey of 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene?

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

What are the key properties of 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene?

9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]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 9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 123334632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).