sodium 4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate

• ChemBase ID: 797182
• Molecular Formular: C24H14N2NaO6S2-
• Molecular Mass: 513.49753
• Monoisotopic Mass: 513.01909746
• SMILES: [Na+].c1c(c(c2ccc3c(c(cnc3c2n1)S(=O)(=O)[O-])c1ccccc1)c1ccccc1)S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)c1cnc2c(c1c1ccccc1)ccc1c2ncc(c1c1ccccc1)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C24H16N2O6S2.Na/c27-33(28,29)19-13-25-23-17(21(19)15-7-3-1-4-8-15)11-12-18-22(16-9-5-2-6-10-16)20(34(30,31)32)14-26-24(18)23;/h1-14H,(H,27,28,29)(H,30,31,32);/q;+1/p-2
• InChIKey: ZSZUXXSACKOEQT-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate
• IUPAC Traditional name: sodium 4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate
• Synonyms: SodiuM 4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate

Database IDs

• CAS Number: 482324-38-9

CALCULATED PROPERTIES

• Acid pKa: -4.5151396
• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): -0.8117208
• LogD (pH = 7.4): -0.8080267
• Log P: -0.96207225
• Molar Refractivity: 123.1746 cm^3
• Polarizability: 54.453552 Å^3
• Polar Surface Area: 140.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%