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

• ChemBase ID: 68239
• Molecular Formular: C34H21Br
• Molecular Mass: 509.43454
• Monoisotopic Mass: 508.08266267
• SMILES: c1c(ccc2c(c3ccccc3c(c12)c1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2)Br
• Canonical SMILES: Brc1ccc2c(c1)c(c1ccc3c(c1)cccc3)c1c(c2c2ccc3c(c2)cccc3)cccc1
• InChI: InChI=1S/C34H21Br/c35-28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26/h1-21H
• InChIKey: NNVPXSAMRFIMLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 474688-76-1
• MDL Number: MFCD11045064
• PubChem SID: 162033971
• PubChem CID: 22247157

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: 65.44025 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%