10-(10-oxo-9,10-dihydroanthracen-9-ylidene)-9,10-dihydroanthracen-9-one

• ChemBase ID: 75241
• Molecular Formular: C28H16O2
• Molecular Mass: 384.42544
• Monoisotopic Mass: 384.11502975
• SMILES: O=C1c2ccccc2/C(=C/2\c3c(cccc3)C(=O)c3c2cccc3)/c2c1cccc2
• Canonical SMILES: O=C1c2ccccc2/C(=C/2\c3ccccc3C(=O)c3c2cccc3)/c2c1cccc2
• InChI: InChI=1S/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H
• InChIKey: MGRRGKWPEVFJSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(10-oxo-9,10-dihydroanthracen-9-ylidene)-9,10-dihydroanthracen-9-one
• IUPAC Traditional name: 10-(10-oxoanthracen-9-ylidene)anthracen-9-one
• Synonyms: Bianthrone; 10H,10'H-[9,9'-Bianthracenylidene]-10,10'-dione

Database IDs

• CAS Number: 434-85-5
• EC Number: 207-106-8
• MDL Number: MFCD00001238
• PubChem SID: 162040159
• PubChem CID: 67948

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.1516986
• LogD (pH = 7.4): 6.1516986
• Log P: 6.1516986
• Molar Refractivity: 137.6532 cm^3
• Polarizability: 45.4223 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05210352

MP Biomedicals Rare Chemical collection