λ2-ruthenium(2+) ion tris(4,7-diphenyl-1,10-phenanthroline) bis(hexafluoro-λ5-phosphanuide)

• ChemBase ID: 158055
• Molecular Formular: C72H48F12N6P2Ru
• Molecular Mass: 1388.1900804
• Monoisotopic Mass: 1388.22675647
• SMILES: c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
• Canonical SMILES: c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
• InChI: InChI=1S/3C24H16N2.2F6P.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;2*1-7(2,3,4,5)6;/h3*1-16H;;;/q;;;2*-1;+2
• InChIKey: GUALHCKQGYAQFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-ruthenium(2+) ion tris(4,7-diphenyl-1,10-phenanthroline) bis(hexafluoro-λ^5-phosphanuide)
• IUPAC Traditional name: λ^2-ruthenium(2+) ion tris(4,7-diphenyl-1,10-phenanthroline) dihexafluorophosphate
• Synonyms: Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(II) bis(hexafluorophosphate) complex; 三(4,7-联苯-1,10-菲咯啉)钌(II)双六氟磷酸盐复合物

Database IDs

• CAS Number: 123148-15-2
• MDL Number: MFCD03791108
• PubChem SID: 162252191; 24888456
• PubChem CID: 16218607

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

• Solubility: chloroform: soluble; DMF: soluble; ethanol: soluble; methanol: soluble
• Fluorescence: λex 455 nm; λem 615 nm in 0.1 M phosphate pH 7.0

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95.0% (HPCE)
• Grade: for fluorescence
• Empirical Formula (Hill Notation): C72H48F12N6P2Ru

DETAILS

Sigma Aldrich - 85793

Other Notes
Physical properties3
Packaging
A protocol for embedding polystyrene beads is included with the material.
Application
Tris(4,7-diphenyl-1,10-phenanthroline)-ruthenium hexafluorophosphate (Ru(dpp)3(PF6)2) has been widely used as a probe for luminescent detection and quantitation of oxygen.1,2 The fluorescence of the dye (abs. λmax 455 nm, luminescence λ max 613 nm) is strongly reduced by molecular oxygen due to dynamic quenching, making Ru(dpp)3(PF6)2 a viable oxygen probe based on either measurement of intensity or decay time. At a partial pressure of 200 hPa the decay time (and intensity) of Ru(dpp)3(PF6)2 decreases by a factor of 2 due to dynamic quenching. Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium hexafluorophosphate is recommended for conjugation to polystyrene membranes or beads.