23,24;25,26-dibenzo-tridecacyclo[20.2.2.0^2,6.0^2,21.0^3,13.0^4,11.0^5,9.0^7,20.0^8,18.0^10,17.0^12,16.0^14,21.0^15.19]hexacosane

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 23,24;25,26-dibenzo-tridecacyclo[20.2.2.0^2,6.0^2,21.0^3,13.0^4,11.0^5,9.0^7,20.0^8,18.0^10,17.0^12,16.0^14,21.0^15.19]hexacosane
• 化学式: C₃₄H₂₈
• 分子量: 436.596
• InChiKey: NEHMQANCOBOING-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  34.0
• 可旋转键数：
  0.0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  蒽 、 dodecahedrene 以 苯 为溶剂， 反应 1.0h， 以93%的产率得到23,24;25,26-dibenzo-tridecacyclo[20.2.2.0^2,6.0^2,21.0^3,13.0^4,11.0^5,9.0^7,20.0^8,18.0^10,17.0^12,16.0^14,21.0^15.19]hexacosane
  参考文献：
  名称：

  Unsaturated Dodecahedranes—In Quest of the C20H14 1,4,16-Triene and C20H12 1,4,10(14),16-Tetraene, and Their Cations and Anions

  摘要：

  The highly pyramidal, highly strained 1,4,16-dodecahedratriene (4) and C20H12 1,4,10(14),16-dodecahedratetraene (5) are cage olefins with an intriguing "inner life". For 5 DFT calculations give information about the energetic and geometrical consequences of one-/two-electron oxidation and reduction. Attempts to prepare 4 and 5 through thermal retro[2+2]/[4+2]cycloaddition strategies proved unsuccessful. Still, the C20H14/C20H12 cage cations and anions are liberated upon electron impact or gas-discharge ionization of their thermally extremely stable tris-/tetrakisanthraceno-anellated derivatives. Mass-selection (photoelectron (PE) characterization) of the anions failed, however, due to the very small anion intensity, the preferential formation of hydrogen-poor ions, and minor cage disruption.

  DOI：

  10.1002/1521-3765(20020118)8:2<509::aid-chem509>3.0.co;2-d

文献信息

• Unsaturated Dodecahedranes—In Quest of the C20H14 1,4,16-Triene and C20H12 1,4,10(14),16-Tetraene, and Their Cations and Anions
  作者：Jens Reinbold、Emmerich Sackers、Thomas Oßwald、Klaus Weber、Andreas Weiler、Torsten Voss、Dieter Hunkler、Jürgen Wörth、Lothar Knothe、Frank Sommer、Nina Morgner、Bernd von Issendorff、Horst Prinzbach

  DOI：10.1002/1521-3765(20020118)8:2<509::aid-chem509>3.0.co;2-d

  日期：2002.1.18

  The highly pyramidal, highly strained 1,4,16-dodecahedratriene (4) and C20H12 1,4,10(14),16-dodecahedratetraene (5) are cage olefins with an intriguing "inner life". For 5 DFT calculations give information about the energetic and geometrical consequences of one-/two-electron oxidation and reduction. Attempts to prepare 4 and 5 through thermal retro[2+2]/[4+2]cycloaddition strategies proved unsuccessful. Still, the C20H14/C20H12 cage cations and anions are liberated upon electron impact or gas-discharge ionization of their thermally extremely stable tris-/tetrakisanthraceno-anellated derivatives. Mass-selection (photoelectron (PE) characterization) of the anions failed, however, due to the very small anion intensity, the preferential formation of hydrogen-poor ions, and minor cage disruption.