9-hexadecyl-9H-fluorene

• ChemBase ID: 112610
• Molecular Formular: C29H42
• Molecular Mass: 390.64378
• Monoisotopic Mass: 390.32865134
• SMILES: CCCCCCCCCCCCCCCCC1c2ccccc2c2c1cccc2
• Canonical SMILES: CCCCCCCCCCCCCCCCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C29H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-26-21-16-18-23-28(26)29-24-19-17-22-27(25)29/h16-19,21-25H,2-15,20H2,1H3
• InChIKey: MIHYKOZJQMWHCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-hexadecyl-9H-fluorene
• IUPAC Traditional name: 9-hexadecyl-9H-fluorene
• Synonyms: 9-HEXADECYL FLUORENE

Database IDs

• PubChem SID: 162106732
• PubChem CID: 22568525

CALCULATED PROPERTIES

• Acid pKa: 18.289026
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.694569
• LogD (pH = 7.4): 10.694569
• Log P: 10.694569
• Molar Refractivity: 128.437 cm^3
• Polarizability: 52.048126 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05224882

MP Biomedicals Rare Chemical collection