2-phenyl-9,10-dihydroanthracene-9,10-dione

• ChemBase ID: 296450
• Molecular Formular: C20H12O2
• Molecular Mass: 284.30808
• Monoisotopic Mass: 284.08372962
• SMILES: c1ccc(cc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O
• Canonical SMILES: O=C1c2cc(ccc2C(=O)c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C20H12O2/c21-19-15-8-4-5-9-16(15)20(22)18-12-14(10-11-17(18)19)13-6-2-1-3-7-13/h1-12H
• InChIKey: NTZCFGZBDDCNHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-9,10-dihydroanthracene-9,10-dione
• IUPAC Traditional name: 2-phenylanthracene-9,10-dione
• Synonyms: 2-Phenylanthraquinone; 2-phenylanthraquinone; 2-苯基蒽醌

Database IDs

• CAS Number: 6485-97-8
• MDL Number: MFCD00559262
• PubChem SID: 180681981
• PubChem CID: 313995

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5659313
• LogD (pH = 7.4): 4.5659313
• Log P: 4.5659313
• Molar Refractivity: 86.2872 cm^3
• Polarizability: 34.35334 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160-163°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%