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

• ChemBase ID: 107032
• Molecular Formular: C28H18O2
• Molecular Mass: 386.44132
• Monoisotopic Mass: 386.13067982
• SMILES: O=C1c2ccccc2C(C2c3ccccc3C(=O)c3ccccc23)c2ccccc12
• Canonical SMILES: O=C1c2ccccc2C(c2c1cccc2)C1c2ccccc2C(=O)c2c1cccc2
• InChI: InChI=1S/C28H18O2/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/h1-16,25-26H
• InChIKey: ZQXZUOJNJXNUEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(10-oxo-9,10-dihydroanthracen-9-yl)-9,10-dihydroanthracen-9-one
• IUPAC Traditional name: 10-(10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one
• Synonyms: BIANTHRONYL

Database IDs

• CAS Number: 434-84-4
• PubChem SID: 162092993
• PubChem CID: 97174

CALCULATED PROPERTIES

• Acid pKa: 12.073911
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.323469
• LogD (pH = 7.4): 6.32346
• Log P: 6.323469
• Molar Refractivity: 118.7184 cm^3
• Polarizability: 45.35365 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05202295

MP Biomedicals Rare Chemical collection