[3-(2-{4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-2-methylphenyl}diazen-1-yl)phenyl]trimethylaminyl

• ChemBase ID: 109924
• Molecular Formular: C26H26N5O
• Molecular Mass: 424.51754
• Monoisotopic Mass: 424.21373548
• SMILES: Cc1cc(ccc1/N=N/c1cccc(c1)[N](C)(C)C)/N=N/c1c(O)ccc2c1cccc2
• Canonical SMILES: Cc1cc(ccc1/N=N/c1cccc(c1)[N](C)(C)C)/N=N/c1c(O)ccc2c1cccc2
• InChI: InChI=1S/C26H26N5O/c1-18-16-21(28-30-26-23-11-6-5-8-19(23)12-15-25(26)32)13-14-24(18)29-27-20-9-7-10-22(17-20)31(2,3)4/h5-17,32H,1-4H3
• InChIKey: AIXPEEBAYZGZMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-{4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-2-methylphenyl}diazen-1-yl)phenyl]trimethylaminyl
• IUPAC Traditional name: [3-(2-{4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-2-methylphenyl}diazen-1-yl)phenyl]trimethylaminyl
• Synonyms: JANUS RED

Database IDs

• CAS Number: 2636-31-9
• PubChem SID: 162095389
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 147.7896 cm^3
• Polar Surface Area: 69.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05213043

MP Biomedicals Rare Chemical collection