tris(4,7-diphenyl-1,10-phenanthroline); dichlororuthenium

• ChemBase ID: 158317
• Molecular Formular: C72H48Cl2N6Ru
• Molecular Mass: 1169.16772
• Monoisotopic Mass: 1168.23609993
• SMILES: c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.Cl[Ru]Cl
• Canonical SMILES: c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.c1ccc(cc1)c1ccnc2c1ccc1c2nccc1c1ccccc1.Cl[Ru]Cl
• 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: tris(4,7-diphenyl-1,10-phenanthroline); dichlororuthenium
• IUPAC Traditional name: tris(4,7-diphenyl-1,10-phenanthroline); dichlororuthenium
• Synonyms: Ru(ddp); Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(II) dichloride complex; 三(4,7-联苯-1,10-菲咯啉)二氯化钌(II)复合物

Database IDs

• CAS Number: 36309-88-3
• MDL Number: MFCD03095387
• PubChem SID: 162252453; 24887072
• PubChem CID: 15787787

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% (HPCE)
• Grade: for fluorescence
• Empirical Formula (Hill Notation): C72H48Cl2N6Ru

DETAILS

Sigma Aldrich - 76886

Frequently Asked Questions
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Packaging
1 mg in glass bottle
Application
Ruthenium-tris(4,7-diphenyl-1,10-phenanthroline) dichloride (Ru(dpp)) has been widely used as a probe for luminescent detection and quantitation of oxygen. The fluorescence of the dye (abs. λmax 455 nm, luminescence λmax 613 nm) is strongly reduced by molecular oxygen due to dynamic quenching, making Ru(dpp) a viable oxygen probe based on either measurement of intensity or decay time. Ru(ddp) has been used for fiber optic sensors,1,2 studies on oxygen in skin and skin tumors, measurement of oxygen flux through skin, and for oxygen imaging.3,4