11,12,21,22,39,40,49,50,67,68,77,78-Dodecakis-decyltridecacyclo[58.24.0.04,29.06,27.09,14.019,24.032,57.034,55.037,42.047,52.062,83.065,70.075,80]tetraoctaconta-1(84),4,6(27),9,11,13,19,21,23,28,32,34(55),37,39,41,47,49,51,56,60,62(83),65,67,69,75,77,79-heptacosaen-2,7,15,17,25,30,35,43,45,53,58,63,71,73,81-pentadecayne | 1242773-44-9

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 11,12,21,22,39,40,49,50,67,68,77,78-Dodecakis-decyltridecacyclo[58.24.0.04,29.06,27.09,14.019,24.032,57.034,55.037,42.047,52.062,83.065,70.075,80]tetraoctaconta-1(84),4,6(27),9,11,13,19,21,23,28,32,34(55),37,39,41,47,49,51,56,60,62(83),65,67,69,75,77,79-heptacosaen-2,7,15,17,25,30,35,43,45,53,58,63,71,73,81-pentadecayne
• CAS: 1242773-44-9
• 化学式: C₂₀₄H₂₇₀
• 分子量: 2722.39
• InChiKey: NUFFKFFQKGOLAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  81.2
• 重原子数：
  204
• 可旋转键数：
  108
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.59
• 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69%的产率得到11,12,21,22,39,40,49,50,67,68,77,78-Dodecakis-decyltridecacyclo[58.24.0.04,29.06,27.09,14.019,24.032,57.034,55.037,42.047,52.062,83.065,70.075,80]tetraoctaconta-1(84),4,6(27),9,11,13,19,21,23,28,32,34(55),37,39,41,47,49,51,56,60,62(83),65,67,69,75,77,79-heptacosaen-2,7,15,17,25,30,35,43,45,53,58,63,71,73,81-pentadecayne
  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