9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene

C56H36 — CID 58856463

About 9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene

9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene (PubChem CID 58856463) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

• Compound Name: 9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
• PubChem CID: 58856463
• Molecular Formula: C56H36
• Molecular Weight: 708.90 g/mol
• Exact Mass: 708.28
• IUPAC Name: 9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
• SMILES: c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)c1
• InChI: InChI=1S/C56H36/c1-2-13-41-33-44(28-23-37(41)11-1)46-32-31-45-34-43(29-30-47(45)35-46)42-15-9-16-48(36-42)56-53-20-7-5-18-51(53)55(52-19-6-8-21-54(52)56)40-26-24-39(25-27-40)50-22-10-14-38-12-3-4-17-49(38)50/h1-36H
• InChIKey: JLJGWLBMLPVKAI-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.90
LogP ≤ 5	15.79
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-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene?

The IUPAC name of 9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene (CID 58856463) is 9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene.

What is the SMILES notation for 9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene?

The canonical SMILES for 9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene is c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)c1.

What is the InChIKey of 9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene?

The InChIKey is JLJGWLBMLPVKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-2-13-41-33-44(28-23-37(41)11-1)46-32-31-45-34-43(29-30-47(45)35-46)42-15-9-16-48(36-42)56-53-20-7-5-18-51(53)55(52-19-6-8-21-54(52)56)40-26-24-39(25-27-40)50-22-10-14-38-12-3-4-17-49(38)50/h1-36H.

What are the key properties of 9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene?

9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene has a molecular weight of 708.90 g/mol, XLogP of 15.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 58856463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).