9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene

C52H34 — CID 123964617

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

9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene (PubChem CID 123964617) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
• PubChem CID: 123964617
• Molecular Formula: C52H34
• Molecular Weight: 658.84 g/mol
• Exact Mass: 658.27
• IUPAC Name: 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
• SMILES: C(=Cc1ccc(-c2cccc3ccccc23)c2ccccc12)c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
• InChI: InChI=1S/C52H34/c1-2-14-40-34-41(31-30-36(40)12-1)52-49-21-9-7-19-47(49)51(48-20-8-10-22-50(48)52)39-28-25-35(26-29-39)24-27-38-32-33-46(44-18-6-5-17-43(38)44)45-23-11-15-37-13-3-4-16-42(37)45/h1-34H
• InChIKey: VUGNZCHXGNQPRP-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.84
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene?

The IUPAC name of 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene (CID 123964617) is 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene.

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

The canonical SMILES for 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene is C(=Cc1ccc(-c2cccc3ccccc23)c2ccccc12)c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.

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

The InChIKey is VUGNZCHXGNQPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-2-14-40-34-41(31-30-36(40)12-1)52-49-21-9-7-19-47(49)51(48-20-8-10-22-50(48)52)39-28-25-35(26-29-39)24-27-38-32-33-46(44-18-6-5-17-43(38)44)45-23-11-15-37-13-3-4-16-42(37)45/h1-34H.

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

9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene has a molecular weight of 658.84 g/mol, XLogP of 14.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-2-yl-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene is sourced from PubChem (CID 123964617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).