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

• ChemBase编号: 109924
• 分子式: C26H26N5O
• 平均质量: 424.51754
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: [3-(2-{4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-2-methylphenyl}diazen-1-yl)phenyl]trimethylaminyl
• IUPAC传统名: [3-(2-{4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]-2-methylphenyl}diazen-1-yl)phenyl]trimethylaminyl
• 别名: JANUS RED

登记号

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

理论计算性质

• 质子受体: 0
• 质子供体: 0
• 摩尔折射率: 147.7896 cm^3
• 极化表面积: 69.67 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05213043

MP Biomedicals Rare Chemical collection