9-bromo-10-(naphthalen-1-yl)anthracene

• ChemBase ID: 70221
• Molecular Formular: C24H15Br
• Molecular Mass: 383.2799
• Monoisotopic Mass: 382.03571248
• SMILES: c1cccc2c(c3ccccc3c(c12)Br)c1cccc2ccccc12
• Canonical SMILES: Brc1c2ccccc2c(c2c1cccc2)c1cccc2c1cccc2
• InChI: InChI=1S/C24H15Br/c25-24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18/h1-15H
• InChIKey: SYACRXBYRNYMLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-bromo-10-(naphthalen-1-yl)anthracene
• IUPAC Traditional name: 9-bromo-10-(naphthalen-1-yl)anthracene
• Synonyms: 9-Bromo-10-(naphthalen-1-yl)anthracene; 9-bromo-10-(1-naphthalenyl)anthracene

Database IDs

• CAS Number: 400607-04-7
• MDL Number: MFCD11046571
• PubChem SID: 162035944
• PubChem CID: 21076365

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.357654
• LogD (pH = 7.4): 7.357654
• Log P: 7.357654
• Molar Refractivity: 108.1676 cm^3
• Polarizability: 46.67931 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%