8,16-Dioxa-3,4,5,19,20,21-hexazapentacyclo[21.2.2.13,6.110,14.118,21]triaconta-1(25),4,6(30),10(29),11,13,18(28),19,23,26-decaene-9,15-dione | 1021179-44-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 8,16-Dioxa-3,4,5,19,20,21-hexazapentacyclo[21.2.2.13,6.110,14.118,21]triaconta-1(25),4,6(30),10(29),11,13,18(28),19,23,26-decaene-9,15-dione
• 英文别名: 8,16-dioxa-3,4,5,19,20,21-hexazapentacyclo[21.2.2.13,6.110,14.118,21]triaconta-1(25),4,6(30),10(29),11,13,18(28),19,23,26-decaene-9,15-dione
• CAS: 1021179-44-1
• 化学式: C₂₂H₁₈N₆O₄
• 分子量: 430.423
• InChiKey: JLHJCTRXHWVIKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  Isophthalsaeure-dipropargylester 、 1,4-二甲苯二叠氮化 在 copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 生成 8,16-Dioxa-3,4,5,19,20,21-hexazapentacyclo[21.2.2.13,6.110,14.118,21]triaconta-1(25),4,6(30),10(29),11,13,18(28),19,23,26-decaene-9,15-dione
  参考文献：
  名称：

  Design, Synthesis, and Self-Assembling Properties of Novel Triazolophanes

  摘要：

  A series of novel triazolophanes containing peptidic and nonpeptidic backbones is reported. The crystal structure of one such macrocycle displays self-assembly through nonconventional hydrogen-bonding interactions.

  DOI：

  10.1021/ol8003386

文献信息

• Design, Synthesis, and Self-Assembling Properties of Novel Triazolophanes
  作者：V. Haridas、Kashmiri Lal、Yogesh K. Sharma、Shailesh Upreti

  DOI：10.1021/ol8003386

  日期：2008.4.1

  A series of novel triazolophanes containing peptidic and nonpeptidic backbones is reported. The crystal structure of one such macrocycle displays self-assembly through nonconventional hydrogen-bonding interactions.