λ2-ruthenium(2+) ion tris(4,7-diphenyl-1,10-phenanthroline) dichloride

• ChemBase ID: 303758
• Molecular Formular: C72H48Cl2N6Ru
• Molecular Mass: 1169.16772
• Monoisotopic Mass: 1168.23609993
• SMILES: c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.[Cl-].[Cl-].[Ru+2]
• Canonical SMILES: c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.[Cl-].[Cl-].[Ru+2]
• InChI: InChI=1S/3C24H16N2.2ClH.Ru/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;;/h3*1-16H;2*1H;/q;;;;;+2/p-2
• InChIKey: SKZWFYFFTOHWQP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-ruthenium(2+) ion tris(4,7-diphenyl-1,10-phenanthroline) dichloride
• IUPAC Traditional name: λ^2-ruthenium(2+) ion tris(4,7-diphenyl-1,10-phenanthroline) dichloride
• Synonyms: Tris(bathophenathroline)ruthenium(II) dichloride; Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(II) dichloride; 三(4,7-联苯-1,10-邻菲啰啉)二氯化钌(II)

Database IDs

• CAS Number: 36309-88-3
• MDL Number: MFCD03095387

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.500036
• LogD (pH = 7.4): 5.581845
• Log P: 5.583006
• Molar Refractivity: 104.173 cm^3
• Polarizability: 46.07427 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• TSCA Listed: 否