2-bromo-9,10-diphenylanthracene

• ChemBase ID: 798620
• Molecular Formular: C26H17Br
• Molecular Mass: 409.31718
• Monoisotopic Mass: 408.05136254
• SMILES: c1ccc2c(c3ccc(cc3c(c2c1)c1ccccc1)Br)c1ccccc1
• Canonical SMILES: Brc1ccc2c(c1)c(c1ccccc1)c1c(c2c2ccccc2)cccc1
• InChI: InChI=1S/C26H17Br/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17H
• InChIKey: OZNXPZBQVNNJCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-9,10-diphenylanthracene
• IUPAC Traditional name: 2-bromo-9,10-diphenylanthracene
• Synonyms: 2-bromo-9,10-diphenylanthracene

Database IDs

• CAS Number: 201731-79-5

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.015403
• LogD (pH = 7.4): 8.015403
• Log P: 8.015403
• Molar Refractivity: 116.8536 cm^3
• Polarizability: 50.138996 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%