2-bromo-9,9-diphenyl-9H-fluorene

• ChemBase ID: 88725
• Molecular Formular: C25H17Br
• Molecular Mass: 397.30648
• Monoisotopic Mass: 396.05136254
• SMILES: Brc1cc2c(cc1)c1c(cccc1)C2(c1ccccc1)c1ccccc1
• Canonical SMILES: Brc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1c2cccc1
• InChI: InChI=1S/C25H17Br/c26-20-15-16-22-21-13-7-8-14-23(21)25(24(22)17-20,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
• InChIKey: WNXNWOBGPRKOJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-9,9-diphenyl-9H-fluorene
• IUPAC Traditional name: 2-bromo-9,9-diphenylfluorene
• Synonyms: 2-Bromo-9,9-diphenyl-9H-fluorene

Database IDs

• CAS Number: 474918-32-6
• PubChem SID: 162075644
• PubChem CID: 46856308

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.3624463
• LogD (pH = 7.4): 7.3624463
• Log P: 7.3624463
• Molar Refractivity: 111.7099 cm^3
• Polarizability: 44.151978 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 219-220°C

Safety Information

• Storage Warning: Irritant/Light Sensitive