3,19,25-Tris(2,3,4,5,6-pentafluorophenyl)-29-azadecacyclo[25.7.1.04,33.05,10.011,32.012,17.018,31.021,30.023,28.029,34]pentatriaconta-1,3,5,7,9,11(32),12,14,16,18,20,23(28),24,26,30,33-hexadecaene-22,35-dione | 1610358-11-6

• 分子结构分类: 有机化合物
• 英文名称: 3,19,25-Tris(2,3,4,5,6-pentafluorophenyl)-29-azadecacyclo[25.7.1.04,33.05,10.011,32.012,17.018,31.021,30.023,28.029,34]pentatriaconta-1,3,5,7,9,11(32),12,14,16,18,20,23(28),24,26,30,33-hexadecaene-22,35-dione
• CAS: 1610358-11-6
• 化学式: C₅₂H₁₂F₁₅NO₂
• 分子量: 967.649
• InChiKey: ORDGJRJSQFCWBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.9
• 重原子数：
  70
• 可旋转键数：
  3
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  8,14,22-Tribenzhydrylidene-5,11,17-tris(2,3,4,5,6-pentafluorophenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene 在 iron(III) chloride 、 氧气 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 18.0h， 以39%的产率得到3,19,25-Tris(2,3,4,5,6-pentafluorophenyl)-29-azadecacyclo[25.7.1.04,33.05,10.011,32.012,17.018,31.021,30.023,28.029,34]pentatriaconta-1,3,5,7,9,11(32),12,14,16,18,20,23(28),24,26,30,33-hexadecaene-22,35-dione
  参考文献：
  名称：

  Heterotriangulenes π-Expanded at Bridging Positions

  摘要：

  A series of nitrogen-containing heterotriangulenes expanded at the bridging positions has been synthesized. Among them, a dibenzo[c,g]fluorenylidene-substituted derivative has a highly twisted conformation for the overcrowded alkene moieties, which impart a highly electron-accepting character to the electron-donating heterotriangulene skeleton and thereby an NIR absorption as well as multiredox properties with a low reduction potential.

  DOI：

  10.1021/ol501004g