9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene

C54H34 — CID 123515173

About 9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene

9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene (PubChem CID 123515173) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene.

Molecular Properties

• Compound Name: 9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
• PubChem CID: 123515173
• Molecular Formula: C54H34
• Molecular Weight: 682.87 g/mol
• Exact Mass: 682.27
• IUPAC Name: 9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
• SMILES: c1ccc2c(-c3ccc4cc(-c5ccc6cc(-c7c8ccccc8c(-c8cccc9ccccc89)c8ccccc78)ccc6c5)ccc4c3)cccc2c1
• InChI: InChI=1S/C54H34/c1-3-15-45-35(11-1)13-9-21-47(45)43-29-27-39-31-37(23-25-41(39)33-43)38-24-26-42-34-44(30-28-40(42)32-38)53-49-17-5-7-19-51(49)54(52-20-8-6-18-50(52)53)48-22-10-14-36-12-2-4-16-46(36)48/h1-34H
• InChIKey: DYYHBSKBPIOEEU-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-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene?

The IUPAC name of 9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene (CID 123515173) is 9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene.

What is the SMILES notation for 9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene?

The canonical SMILES for 9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene is c1ccc2c(-c3ccc4cc(-c5ccc6cc(-c7c8ccccc8c(-c8cccc9ccccc89)c8ccccc78)ccc6c5)ccc4c3)cccc2c1.

What is the InChIKey of 9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene?

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

What are the key properties of 9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene?

9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-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-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 123515173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).