9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene

C54H34 — CID 123218552

About 9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene

9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene (PubChem CID 123218552) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene.

Molecular Properties

• Compound Name: 9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
• PubChem CID: 123218552
• Molecular Formula: C54H34
• Molecular Weight: 682.87 g/mol
• Exact Mass: 682.27
• IUPAC Name: 9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
• SMILES: c1ccc2cc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7ccc8ccccc8c7)c7ccccc67)c6ccccc56)cc4c3)ccc2c1
• InChI: InChI=1S/C54H34/c1-3-13-38-31-40(25-21-35(38)11-1)41-26-22-37-24-28-43(34-44(37)33-41)53-48-17-7-9-19-50(48)54(51-20-10-8-18-49(51)53)52-30-29-45(46-15-5-6-16-47(46)52)42-27-23-36-12-2-4-14-39(36)32-42/h1-34H
• InChIKey: XVJDHPGKGNEQGV-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.87
LogP ≤ 5	15.27
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-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene?

The IUPAC name of 9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene (CID 123218552) is 9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene.

What is the SMILES notation for 9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene?

The canonical SMILES for 9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene is c1ccc2cc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7ccc8ccccc8c7)c7ccccc67)c6ccccc56)cc4c3)ccc2c1.

What is the InChIKey of 9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene?

The InChIKey is XVJDHPGKGNEQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-3-13-38-31-40(25-21-35(38)11-1)41-26-22-37-24-28-43(34-44(37)33-41)53-48-17-7-9-19-50(48)54(51-20-10-8-18-49(51)53)52-30-29-45(46-15-5-6-16-47(46)52)42-27-23-36-12-2-4-14-39(36)32-42/h1-34H.

What are the key properties of 9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene?

9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene has a molecular weight of 682.87 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 123218552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).