9-(anthracen-9-yl)anthracene

• ChemBase ID: 798961
• Molecular Formular: C28H18
• Molecular Mass: 354.44252
• Monoisotopic Mass: 354.14085058
• SMILES: c1ccc2cc3ccccc3c(c2c1)c1c2c(cc3ccccc13)cccc2
• Canonical SMILES: c1ccc2c(c1)c(c1c(c2)cccc1)c1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C28H18/c1-5-13-23-19(9-1)17-20-10-2-6-14-24(20)27(23)28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28/h1-18H
• InChIKey: SXGIRTCIFPJUEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(anthracen-9-yl)anthracene
• IUPAC Traditional name: 9-(anthracen-9-yl)anthracene
• Synonyms: 9,9'-bianthracene

Database IDs

• CAS Number: 1055-23-8

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.578378
• LogD (pH = 7.4): 7.578378
• Log P: 7.578378
• Molar Refractivity: 116.995 cm^3
• Polarizability: 52.34978 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%