9,20-Bis(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,7,10,12,14(28),15(27),16,18,21,23-tridecaene-9,20-diol | 1192537-32-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 9,20-Bis(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,7,10,12,14(28),15(27),16,18,21,23-tridecaene-9,20-diol
• 英文别名: 9,20-bis(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,7,10,12,14(28),15(27),16,18,21,23-tridecaene-9,20-diol
• CAS: 1192537-32-8
• 化学式: C₆₂H₇₂O₄Si₂
• 分子量: 937.422
• InChiKey: CMXVTSGOVGTBSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.27
• 重原子数：
  68
• 可旋转键数：
  10
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9,20-Bis(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,7,10,12,14(28),15(27),16,18,21,23-tridecaene-9,20-diol 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.02h， 生成
  参考文献：
  名称：

  A Soluble and Stable Quinoidal Bisanthene with NIR Absorption and Amphoteric Redox Behavior

  摘要：

  A soluble and stable quinoidal bisanthene (3) was synthesized, and it exhibited high molar absorptivity in the near-IR spectral region. In addition, compound 3 also showed good electrochemical amphotericity with four reversible one-electron transfer steps. Compound 3 represents a rare example of soluble and stable pi-conjugated polycyclic hydrocarbons with quinoidal character.

  DOI：

  10.1021/ol902241u
• 作为产物：
  描述：

  并四苯 、 (4-Bromo-2,6-di-tert-butylphenoxy)trimethylsilane 在 碘 、 magnesium 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以66%的产率得到9,20-Bis(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,7,10,12,14(28),15(27),16,18,21,23-tridecaene-9,20-diol
  参考文献：
  名称：

  A Soluble and Stable Quinoidal Bisanthene with NIR Absorption and Amphoteric Redox Behavior

  摘要：

  A soluble and stable quinoidal bisanthene (3) was synthesized, and it exhibited high molar absorptivity in the near-IR spectral region. In addition, compound 3 also showed good electrochemical amphotericity with four reversible one-electron transfer steps. Compound 3 represents a rare example of soluble and stable pi-conjugated polycyclic hydrocarbons with quinoidal character.

  DOI：

  10.1021/ol902241u