9-(9H-fluoren-9-yl)-9H-fluorene

• ChemBase ID: 110173
• Molecular Formular: C26H18
• Molecular Mass: 330.42112
• Monoisotopic Mass: 330.14085058
• SMILES: c1ccc2c(c1)C(C1c3ccccc3c3ccccc13)c1ccccc21
• Canonical SMILES: c1ccc2c(c1)C(C1c3ccccc3c3c1cccc3)c1c2cccc1
• InChI: InChI=1S/C26H18/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16,25-26H
• InChIKey: QXAIDADUIMVTPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(9H-fluoren-9-yl)-9H-fluorene
• IUPAC Traditional name: 9-(9H-fluoren-9-yl)-9H-fluorene
• Synonyms: DIFLUORENYL

Database IDs

• CAS Number: 1530-12-7
• PubChem SID: 162095947
• PubChem CID: 137063

CALCULATED PROPERTIES

• Acid pKa: 14.687972
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.6992135
• LogD (pH = 7.4): 6.6992135
• Log P: 6.6992135
• Molar Refractivity: 107.8398 cm^3
• Polarizability: 44.29788 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05214010

MP Biomedicals Rare Chemical collection