2-(3-(4-(bis(pyridin-2-ylmethyl)amino)styryl)-5,5-dimethylcyclohex-2-en-1-ylidene)malononitrile | 1367361-17-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(3-(4-(bis(pyridin-2-ylmethyl)amino)styryl)-5,5-dimethylcyclohex-2-en-1-ylidene)malononitrile
• CAS: 1367361-17-8
• 化学式: C₃₁H₂₉N₅
• 分子量: 471.605
• InChiKey: BFBIPKDTEIDEBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.79
• 重原子数：
  36.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  76.6
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  4-(bis(pyridin-2-ylmethyl)amino)benzaldehyde 、 (3,5,5-三甲基环己-2-烯亚基)丙二腈 在 吡啶 作用下， 以 丙醇 为溶剂， 反应 4.0h， 以50%的产率得到2-(3-(4-(bis(pyridin-2-ylmethyl)amino)styryl)-5,5-dimethylcyclohex-2-en-1-ylidene)malononitrile
  参考文献：
  名称：

  Synthesis and Spectral Properties of a Highly Selective D-π-A Based Dye Chemosensor

  摘要：

  A novel chromogenic and fluorogenic dye chemosensor was computationally designed using MO theory calculation and synthesized based on donor-p-acceptor unit. This prepared dye sensor showed the selective Ni2+ metal ion sensing effects in optical properties with UV-vis absorption and fluorescence emission. Dye sensor displayed evident absorption changes with Ni2+ ion and highly selective fluorescence quenching effect was determined. But it showed no significant changes upon the addition of other metal ions such as Cd2+, Na2+, Mg2+, Pb2+, Fe2+, Fe3+, Ca2+, Cu2+, Hg2+ and Zn2+

  DOI：

  10.1080/15421406.2011.564507