2-bromo-9,10-bis(naphthalen-1-yl)anthracene

• ChemBase ID: 291737
• Molecular Formular: C34H21Br
• Molecular Mass: 509.43454
• Monoisotopic Mass: 508.08266267
• SMILES: Brc1ccc2c(c3c4ccccc4ccc3)c3ccccc3c(c3c4ccccc4ccc3)c2c1
• Canonical SMILES: Brc1ccc2c(c1)c(c1cccc3c1cccc3)c1c(c2c2cccc3c2cccc3)cccc1
• InChI: InChI=1S/C34H21Br/c35-24-19-20-31-32(21-24)34(28-18-8-12-23-10-2-4-14-26(23)28)30-16-6-5-15-29(30)33(31)27-17-7-11-22-9-1-3-13-25(22)27/h1-21H
• InChIKey: LMXOZFCNVIVYSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-9,10-bis(naphthalen-1-yl)anthracene
• IUPAC Traditional name: 2-bromo-9,10-bis(naphthalen-1-yl)anthracene
• Synonyms: 2-Bromo-9,10-di(naphthalen-1-yl)anthracene

Database IDs

• CAS Number: 929031-39-0
• MDL Number: MFCD13194903
• PubChem SID: 180677268
• PubChem CID: 53627547

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.994356
• LogD (pH = 7.4): 9.994356
• Log P: 9.994356
• Molar Refractivity: 149.754 cm^3
• Polarizability: 65.44595 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%