9-phenyl-9H-fluorene

• ChemBase ID: 139080
• Molecular Formular: C19H14
• Molecular Mass: 242.31446
• Monoisotopic Mass: 242.10955045
• SMILES: c1ccc(cc1)C1c2ccccc2c2c1cccc2
• Canonical SMILES: c1ccc(cc1)C1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C19H14/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13,19H
• InChIKey: ZJQCOVBALALRCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-phenyl-9H-fluorene
• IUPAC Traditional name: 9-phenyl-9H-fluorene
• Synonyms: 9-Phenylfluorene; 9-苯基芴

Database IDs

• CAS Number: 789-24-2
• MDL Number: MFCD00010467
• PubChem SID: 162233330
• PubChem CID: 13091

CALCULATED PROPERTIES

• Acid pKa: 17.210983
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1598425
• LogD (pH = 7.4): 5.1598425
• Log P: 5.1598425
• Molar Refractivity: 79.517 cm^3
• Polarizability: 32.166832 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C19H14