europium(3+) ion 1,10-phenanthroline tris((1Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

• ChemBase ID: 303763
• Molecular Formular: C57H41EuN2O6
• Molecular Mass: 1001.90924
• Monoisotopic Mass: 1002.21769204
• SMILES: c1ccc(cc1)C(=O)/C=C(\[O-])/c1ccccc1.c1ccc(cc1)C(=O)/C=C(\[O-])/c1ccccc1.c1ccc(cc1)C(=O)/C=C(\[O-])/c1ccccc1.c1cnc2c(c1)ccc1c2nccc1.[Eu+3]
• Canonical SMILES: c1cnc2c(c1)ccc1c2nccc1.[O-]/C(=C\C(=O)c1ccccc1)/c1ccccc1.[O-]/C(=C\C(=O)c1ccccc1)/c1ccccc1.[O-]/C(=C\C(=O)c1ccccc1)/c1ccccc1.[Eu+3]
• InChI: InChI=1S/3C15H12O2.C12H8N2.Eu/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-11,16H;1-8H;/q;;;;+3/p-3/b3*14-11-
• InChIKey: VFVBZVBAWCSCIO-PGQFVXAISA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: europium(3+) ion 1,10-phenanthroline tris((1Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
• IUPAC Traditional name: europium(3+) ion phen tris((1Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
• Synonyms: Tris(dibenzoylmethane)mono(phenanthroline)europium(III); 三(联苯甲酰基甲烷)单(菲啰啉)铕(III)

Database IDs

• CAS Number: 17904-83-5
• MDL Number: MFCD01321202

CALCULATED PROPERTIES

• Acid pKa: 6.464488
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0921044
• LogD (pH = 7.4): 2.1591082
• Log P: 3.1367784
• Molar Refractivity: 79.3196 cm^3
• Polarizability: 25.693287 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in dichloromethane, THF
• Apperance: Powder
• Melting Point: 172-173°C

Safety Information

• TSCA Listed: 否