1,7,10,16,17,23,26,32,35,38,43,46-Dodecaoxa-4,13,20,29-tetraaza-<16.8^4,13.16.8^20,29>(9,10)-anthracenophane | 128342-27-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,7,10,16,17,23,26,32,35,38,43,46-Dodecaoxa-4,13,20,29-tetraaza-<16.8^4,13.16.8^20,29>(9,10)-anthracenophane
• 英文别名: 4,13,19,22,28,37,43,46,51,54,65,68-Dodecaoxa-1,16,25,40-tetrazanonacyclo[38.8.8.816,25.65,12.629,36.06,11.030,35.057,62.071,76]hexaheptaconta-5(76),6,8,10,12(71),29,31,33,35,57,59,61,72,74-tetradecaene；4,13,19,22,28,37,43,46,51,54,65,68-dodecaoxa-1,16,25,40-tetrazanonacyclo[38.8.8.816,25.65,12.629,36.06,11.030,35.057,62.071,76]hexaheptaconta-5(76),6,8,10,12(71),29,31,33,35,57,59,61,72,74-tetradecaene
• CAS: 128342-27-8
• 化学式: C₆₀H₈₀N₄O₁₂
• 分子量: 1049.31
• InChiKey: FJHIGORPTJPLLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  76
• 可旋转键数：
  0
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 、 diborane(6) 作用下， 生成 1,7,10,16,17,23,26,32,35,38,43,46-Dodecaoxa-4,13,20,29-tetraaza-<16.8^4,13.16.8^20,29>(9,10)-anthracenophane
  参考文献：
  名称：

  双蒽大三环二位受体的合成和荧光发射特性。其双核crypt化的晶体结构

  摘要：

  新的大三环的对位双蒽基受体（1）显示出显着的荧光特性（双重发射：“单体”和受激准分子类型），通过结合RbClO 4和1,7-二氨基庚烷二盐酸盐可对其进行强烈和选择性的修饰。

  DOI：

  10.1039/c39900000655

文献信息

• Synthesis and fluorescence emission properties of a bis-anthracenyl macrotricyclic ditopic receptor. Crystal structure of its dinuclear rubidium cryptate
  作者：Fr�d�ric Fages、Jean-Pierre Desvergne、Henri Bouas-Laurent、Jean-Marie Lehn、Joseph P. Konopelski、Pierre Marsau、Yvette Barrans

  DOI：10.1039/c39900000655

  日期：——

  The new macrotricyclic ditopic bis-anthracenyl receptor (1) displays remarkable fluorescence properties (dual emission: ‘monomer’ and excimer type) which are strongly and selectively modified by binding RbClO4 and 1,7-diaminoheptane dihydrochloride.

  新的大三环的对位双蒽基受体（1）显示出显着的荧光特性（双重发射：“单体”和受激准分子类型），通过结合RbClO 4和1,7-二氨基庚烷二盐酸盐可对其进行强烈和选择性的修饰。
• Synthesis, Structural, Spectroscopic, and Alkali-Metal Cations Complexation Studies of a Bis-Anthracenediyl Macrotricyclic Ditopic Receptor
  作者：Frederic Fages、Jean-Pierre Desvergne、Henri Bouas-Laurent、Jean-Marie Lehn、Yvette Barrans、Pierre Marsau、Michel Meyer、Anne-Marie Albrecht-Gary

  DOI：10.1021/jo00097a030

  日期：1994.9

  The macrotricyclic bis-anthracenediyl receptor 1 has been prepared in order to study the interplay between cation complexation and fluorescence emission. The structure of this photoresponsive supramolecular system is based on two diazacrown ether moieties (N2O4) linked through two anthracene chromophore-containing flexible spacers. 1 displays a dual (locally excited and excimer-type) fluorescence emission, and the relative contribution (Phi(FE)/Phi(FM)) of these emissions is sensitive to metal cations. A spectroscopic study shows that the optical responses are dependent on the nature of the complexed cation, and the more pronounced effect is noticed with Rb+. X-ray crystallographic, photophysical, and binding studies confirm that two Rb+ cations are held within the hydrophilic N2O4 parts with participation of the four phenolic oxygen atoms to complexation, leading to the maximum overlap between the anthracene nuclei in both the ground and excited states. The mononuclear and binuclear rubidium complexes exhibit high stability constants in solution (K-1 = 6.0 x 105 M(-1); K-2 = 6.3 x 104 M(-1)) and a noncooperative behavior is observed. This new supramolecular system can thus be used for sensitive metal cation detection and recognition, especially for Rb+.