3,7-diamino-5-(2H5)phenyl-5λ5,10-phenazin-5-ylium chloride

• ChemBase ID: 176488
• Molecular Formular: C18H15ClN4
• Molecular Mass: 322.7915
• Monoisotopic Mass: 322.09852418
• SMILES: c1(ccc2c(c1)[n+](c1c(n2)ccc(c1)N)c1ccccc1)N.[Cl-]
• Canonical SMILES: Nc1ccc2c(c1)[n+](c1ccccc1)c1c(n2)ccc(c1)N.[Cl-]
• InChI: InChI=1S/C18H14N4.ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;/h1-11H,(H3,19,20);1H
• InChIKey: SOUHUMACVWVDME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7-diamino-5-(^2H₅)phenyl-5λ^5,10-phenazin-5-ylium chloride
• IUPAC Traditional name: 3,7-diamino-5-(^2H₅)phenyl-5λ^5,10-phenazin-5-ylium chloride
• Synonyms: 2,8-Diamino-10-phenyl-phenazinium-d5 Chloride; 3,7-Diamino-5-phenylphenazinium-d5 Chloride; Phenosafranin-d5

Database IDs

• PubChem SID: 164232398
• PubChem CID: 71751586

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.21423928
• Log P: -0.21416438
• Molar Refractivity: 99.3087 cm^3
• Polarizability: 36.542057 Å^3
• Polar Surface Area: 68.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.2200736

DETAILS

Toronto Research Chemicals - P318022

A bacterial stain used in microscopy.

REFERENCES

• Ramu, A., et al.: Biochem. Pharmacol., 42, 1699 (1991)
• Borole, A., et al.: Biotechnol. Lett., 30, 1367 (1991)