9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene

C56H36 — CID 58590178

About 9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene

9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene (PubChem CID 58590178) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene.

Molecular Properties

• Compound Name: 9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
• PubChem CID: 58590178
• Molecular Formula: C56H36
• Molecular Weight: 708.90 g/mol
• Exact Mass: 708.28
• IUPAC Name: 9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)ccc4c3)c3ccccc23)cc1
• InChI: InChI=1S/C56H36/c1-2-16-39(17-3-1)55-51-22-8-10-24-53(51)56(54-25-11-9-23-52(54)55)43-31-30-40-32-42(29-28-41(40)33-43)44-34-45(49-26-12-18-37-14-4-6-20-47(37)49)36-46(35-44)50-27-13-19-38-15-5-7-21-48(38)50/h1-36H
• InChIKey: VINCPPVFJHQTPA-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-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?

The IUPAC name of 9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene (CID 58590178) is 9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene.

What is the SMILES notation for 9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?

The canonical SMILES for 9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)ccc4c3)c3ccccc23)cc1.

What is the InChIKey of 9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?

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

What are the key properties of 9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?

9-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene 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-[6-(3,5-dinaphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene is sourced from PubChem (CID 58590178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).