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

C56H36 — CID 123921245

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

9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene (PubChem CID 123921245) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

• Compound Name: 9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
• PubChem CID: 123921245
• Molecular Formula: C56H36
• Molecular Weight: 708.90 g/mol
• Exact Mass: 708.28
• IUPAC Name: 9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc4c3)c3ccccc23)c1
• InChI: InChI=1S/C56H36/c1-2-13-41-33-44(28-25-37(41)11-1)42-15-9-16-47(35-42)55-51-18-5-7-20-53(51)56(54-21-8-6-19-52(54)55)48-32-31-45-34-43(29-30-46(45)36-48)38-23-26-40(27-24-38)50-22-10-14-39-12-3-4-17-49(39)50/h1-36H
• InChIKey: XKCKAUIXVGWGPX-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-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene?

The IUPAC name of 9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene (CID 123921245) is 9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene.

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

The canonical SMILES for 9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc4c3)c3ccccc23)c1.

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

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

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

9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]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-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 123921245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).