(9Z)-9-[(2E)-3-phenylprop-2-en-1-ylidene]-9H-fluorene

• ChemBase ID: 108574
• Molecular Formular: C22H16
• Molecular Mass: 280.36244
• Monoisotopic Mass: 280.12520051
• SMILES: c1ccc(cc1)/C=C/C=C\1/c2ccccc2c2ccccc12
• Canonical SMILES: c1ccc(cc1)/C=C/C=C/1\c2ccccc2c2c1cccc2
• InChI: InChI=1S/C22H16/c1-2-9-17(10-3-1)11-8-16-22-20-14-6-4-12-18(20)19-13-5-7-15-21(19)22/h1-16H
• InChIKey: FDELSKWIDIUQDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9Z)-9-[(2E)-3-phenylprop-2-en-1-ylidene]-9H-fluorene; 9-(3-phenylprop-2-en-1-ylidene)-9H-fluorene
• IUPAC Traditional name: (9Z)-9-[(2E)-3-phenylprop-2-en-1-ylidene]fluorene; 9-(3-phenylprop-2-en-1-ylidene)fluorene
• Synonyms: Cinnamylidenefluorene; Cinnamalfluorene; 9-CINNAMYLIDENEFLUORENE

Database IDs

• CAS Number: 1836-87-9; 2871-26-3
• MDL Number: MFCD00019099
• PubChem SID: 162089216; 24892814
• PubChem CID: 5378109

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9474807
• LogD (pH = 7.4): 5.9474807
• Log P: 5.9474807
• Molar Refractivity: 104.4623 cm^3
• Polarizability: 37.50673 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• 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

DETAILS

MP Biomedicals - 05207923

MP Biomedicals Rare Chemical collection