9,10,19,20,35,36,45,46,61,62,71,72-Dodecakis-decyltridecacyclo[52.24.0.02,27.04,25.07,12.017,22.028,53.030,51.033,38.043,48.056,77.059,64.069,74]octaheptaconta-1,3,7,9,11,17,19,21,25,27,29,33,35,37,43,45,47,51,53,55,59,61,63,69,71,73,77-heptacosaen-5,13,15,23,31,39,41,49,57,65,67,75-dodecayne | 1242773-43-8

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 9,10,19,20,35,36,45,46,61,62,71,72-Dodecakis-decyltridecacyclo[52.24.0.02,27.04,25.07,12.017,22.028,53.030,51.033,38.043,48.056,77.059,64.069,74]octaheptaconta-1,3,7,9,11,17,19,21,25,27,29,33,35,37,43,45,47,51,53,55,59,61,63,69,71,73,77-heptacosaen-5,13,15,23,31,39,41,49,57,65,67,75-dodecayne
• CAS: 1242773-43-8
• 化学式: C₁₉₈H₂₇₀
• 分子量: 2650.32
• InChiKey: KHEPTXBHPYHELN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  80.8
• 重原子数：
  198
• 可旋转键数：
  108
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.61
• 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 、 水 为溶剂， 反应 14.0h， 以43%的产率得到9,10,19,20,35,36,45,46,61,62,71,72-Dodecakis-decyltridecacyclo[52.24.0.02,27.04,25.07,12.017,22.028,53.030,51.033,38.043,48.056,77.059,64.069,74]octaheptaconta-1,3,7,9,11,17,19,21,25,27,29,33,35,37,43,45,47,51,53,55,59,61,63,69,71,73,77-heptacosaen-5,13,15,23,31,39,41,49,57,65,67,75-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