13,14,23,24,43,44,53,54,73,74,83,84-Dodecakis-decyltridecacyclo[64.24.0.06,31.08,29.011,16.021,26.036,61.038,59.041,46.051,56.068,89.071,76.081,86]nonaconta-1,2,3,4,5,7,11,13,15,21,23,25,29,31,32,33,34,35,37,41,43,45,51,53,55,59,61,62,63,64,65,67,71,73,75,81,83,85,89-nonatriacontaen-9,17,19,27,39,47,49,57,69,77,79,87-dodecayne | 1242773-45-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 13,14,23,24,43,44,53,54,73,74,83,84-Dodecakis-decyltridecacyclo[64.24.0.06,31.08,29.011,16.021,26.036,61.038,59.041,46.051,56.068,89.071,76.081,86]nonaconta-1,2,3,4,5,7,11,13,15,21,23,25,29,31,32,33,34,35,37,41,43,45,51,53,55,59,61,62,63,64,65,67,71,73,75,81,83,85,89-nonatriacontaen-9,17,19,27,39,47,49,57,69,77,79,87-dodecayne
• 英文别名: 13,14,23,24,43,44,53,54,73,74,83,84-dodecakis-decyltridecacyclo[64.24.0.06,31.08,29.011,16.021,26.036,61.038,59.041,46.051,56.068,89.071,76.081,86]nonaconta-1,2,3,4,5,7,11,13,15,21,23,25,29,31,32,33,34,35,37,41,43,45,51,53,55,59,61,62,63,64,65,67,71,73,75,81,83,85,89-nonatriacontaen-9,17,19,27,39,47,49,57,69,77,79,87-dodecayne
• CAS: 1242773-45-0
• 化学式: C₂₁₀H₂₇₀
• 分子量: 2794.45
• InChiKey: CYZPLVWTUDGZFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  71.2
• 重原子数：
  210
• 可旋转键数：
  108
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  、 在 copper(l) iodide 、 1,2-二(二苯基膦基)乙烷二氯化钯(II) 、 碘 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 以52%的产率得到13,14,23,24,43,44,53,54,73,74,83,84-Dodecakis-decyltridecacyclo[64.24.0.06,31.08,29.011,16.021,26.036,61.038,59.041,46.051,56.068,89.071,76.081,86]nonaconta-1,2,3,4,5,7,11,13,15,21,23,25,29,31,32,33,34,35,37,41,43,45,51,53,55,59,61,62,63,64,65,67,71,73,75,81,83,85,89-nonatriacontaen-9,17,19,27,39,47,49,57,69,77,79,87-dodecayne
  参考文献：
  名称：

  Synthesis and Photophysical Properties of Expanded Dehydrobenzoannulenoannulene Trefoils

  摘要：

  A sequential Sonogashira cross-coupling/Pd-mediated oxidative homocoupling strategy affords two-dimensional dehydrobenzoannulene trefoils containing different sizes of the central annulenic ring system. Use of these conditions instead of Cu-mediated homocoupling conditions yields a structural isomer possessing a triphenylene ([6]annulene) core. Noticeable differences in the absorption and emission spectra are observed depending upon the core unit.

  DOI：

  10.1021/ol101542e

文献信息

• Synthesis and Photophysical Properties of Expanded Dehydrobenzoannulenoannulene Trefoils
  作者：Takashi Takeda、Aaron G. Fix、Michael M. Haley

  DOI：10.1021/ol101542e

  日期：2010.9.3

  A sequential Sonogashira cross-coupling/Pd-mediated oxidative homocoupling strategy affords two-dimensional dehydrobenzoannulene trefoils containing different sizes of the central annulenic ring system. Use of these conditions instead of Cu-mediated homocoupling conditions yields a structural isomer possessing a triphenylene ([6]annulene) core. Noticeable differences in the absorption and emission spectra are observed depending upon the core unit.