9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene

C59H42 — CID 144837246

About 9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene

9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene (PubChem CID 144837246) has the molecular formula C59H42 and a molecular weight of 750.99 g/mol. Its IUPAC name is 9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene.

Molecular Properties

• Compound Name: 9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene
• PubChem CID: 144837246
• Molecular Formula: C59H42
• Molecular Weight: 750.99 g/mol
• Exact Mass: 750.33
• IUPAC Name: 9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene
• SMILES: CCCc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccc6ccccc6c5)c(-c5ccc(-c6ccc7ccccc7c6)cc5)c4c3)c3ccccc23)cc1
• InChI: InChI=1S/C59H42/c1-2-11-39-20-22-44(23-21-39)58-52-16-7-9-18-54(52)59(55-19-10-8-17-53(55)58)50-33-28-43-34-35-51(49-32-27-41-13-4-6-15-47(41)37-49)57(56(43)38-50)45-29-24-42(25-30-45)48-31-26-40-12-3-5-14-46(40)36-48/h3-10,12-38H,2,11H2,1H3
• InChIKey: WJDYRMSWMSGJMA-UHFFFAOYSA-N
• XLogP: 16.74
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.99
LogP ≤ 5	16.74
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-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene?

The IUPAC name of 9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene (CID 144837246) is 9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene.

What is the SMILES notation for 9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene?

The canonical SMILES for 9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene is CCCc1ccc(-c2c3ccccc3c(-c3ccc4ccc(-c5ccc6ccccc6c5)c(-c5ccc(-c6ccc7ccccc7c6)cc5)c4c3)c3ccccc23)cc1.

What is the InChIKey of 9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene?

The InChIKey is WJDYRMSWMSGJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42/c1-2-11-39-20-22-44(23-21-39)58-52-16-7-9-18-54(52)59(55-19-10-8-17-53(55)58)50-33-28-43-34-35-51(49-32-27-41-13-4-6-15-47(41)37-49)57(56(43)38-50)45-29-24-42(25-30-45)48-31-26-40-12-3-5-14-46(40)36-48/h3-10,12-38H,2,11H2,1H3.

What are the key properties of 9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene?

9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene has a molecular weight of 750.99 g/mol, XLogP of 16.74, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[7-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-10-(4-propylphenyl)anthracene is sourced from PubChem (CID 144837246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).