| 892649-99-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 892649-99-9
• 化学式: C₆₀H₇₆O₁₆
• 分子量: 1053.25
• InChiKey: IWJDLOWZDATNSE-JDXZRIGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.03
• 重原子数：
  76.0
• 可旋转键数：
  0.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  147.68
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  、 2,6-diazaanthracene-9,10-dione 在 六氟磷酸钾 作用下， 以 氘代氯仿 、 氘代乙腈 为溶剂， 生成
  参考文献：
  名称：

  Controlling the rotation of a complexed guest within a molecular cage

  摘要：

  报道了一种基于分子笼的络合物，其中络合的客体在添加和去除 K+ 离子时改变了其相对于大环主体的结合几何形状。

  DOI：

  10.1039/c0dt00375a

文献信息

• Observation of face-to-face host–guest associated states prior to threading of dialkylammonium ions into the DB24C8-like openings of a molecular cage
  作者：Chun-Ju Chuang、Ming-Liang Yen、Chien-Chen Lai、Yi-Hung Liu、Shie-Ming Peng、Sheng-Hsien Chiu

  DOI：10.1039/c2cc34669a

  日期：——

  The threading of bis(dialkylammonium) ions through the DB24C8-like openings of a molecular cage proceeds through a stepwise mechanism: formation of a face-to-face complex between the NH2+ centers and the crown ether, significant dissociation of this complex, and passage of the terminus of the cation through the macrocycle.

  双（二烷基铵）离子通过分子笼的 DB24C8 样开口的过程是一个循序渐进的机制：NH2+ 中心与冠醚之间形成面对面的络合物，该络合物显著解离，阳离子的末端穿过大环。
• A Molecular Cage-Based [2]Rotaxane That Behaves as a Molecular Muscle
  作者：Chun-Ju Chuang、Wan-Sheung Li、Chien-Chen Lai、Yi-Hung Liu、Shie-Ming Peng、Ito Chao、Sheng-Hsien Chiu

  DOI：10.1021/ol802648h

  日期：2009.1.15

  We report a molecular cage-based [2]rotaxane that functions as an artificial molecular muscle through the control of the addition and removal of fluoride anions. The percentage change in molecular length of the [2]rotaxane is about 36% between the stretched and contracted states, which is larger than the percentage change (similar to 27%) in human muscle.
• A Molecular Cage That Selectively Complexes Three Different Guests in Solution
  作者：Ming-Liang Yen、Nai-Chia Chen、Chien-Chen Lai、Yi-Hung Liu、Shie-Ming Peng、Sheng-Hsien Chiu

  DOI：10.1021/ol901873m

  日期：2009.10.15

  A system based on a molecular cage, in which bisdiazonium, bispyridinium, and anthraquinone guests can be complexed to the host sequentially through the application of suitable stimuli, is reported.