2,6-Ditert-butyl-4-[20-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-9-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-tridecaenylidene]cyclohexa-2,5-dien-1-one | 1192537-34-0

• 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: 2,6-Ditert-butyl-4-[20-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-9-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-tridecaenylidene]cyclohexa-2,5-dien-1-one
• CAS: 1192537-34-0
• 化学式: C₅₆H₅₂O₂
• 分子量: 757.028
• InChiKey: QUQXVVORYNXXRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.1
• 重原子数：
  58
• 可旋转键数：
  4
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 吡啶 、 三氯氧磷 作用下， 反应 24.0h， 以0.03 g的产率得到2,6-Ditert-butyl-4-[20-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-9-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-tridecaenylidene]cyclohexa-2,5-dien-1-one
  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