9-(9H-fluoren-9-ylidene)-9H-fluorene

• ChemBase ID: 112223
• Molecular Formular: C26H16
• Molecular Mass: 328.40524
• Monoisotopic Mass: 328.12520051
• SMILES: c1ccc2c(c1)c1ccccc1/C/2=C/1\c2ccccc2c2ccccc12
• Canonical SMILES: c1ccc2c(c1)/C(=C/1\c3ccccc3c3c1cccc3)/c1c2cccc1
• InChI: InChI=1S/C26H16/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/h1-16H
• InChIKey: NVMYRXGXUBZAIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(9H-fluoren-9-ylidene)-9H-fluorene
• IUPAC Traditional name: 9-(fluoren-9-ylidene)fluorene
• Synonyms: 9,9'-BIFLUORENYLIDENE PICRATE

Database IDs

• CAS Number: 746-47-4
• PubChem SID: 162097213
• PubChem CID: 136564

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.527443
• LogD (pH = 7.4): 6.527443
• Log P: 6.527443
• Molar Refractivity: 126.7746 cm^3
• Polarizability: 44.406982 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05222992

MP Biomedicals Rare Chemical collection