8,14,22-Tris(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenylidene)-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 | 1610358-12-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 8,14,22-Tris(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenylidene)-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
• 英文别名: 8,14,22-tris(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenylidene)-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
• CAS: 1610358-12-7
• 化学式: C₁₀₂H₄₂F₁₅N
• 分子量: 1566.44
• InChiKey: CVFHFCAIUPEBSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.7
• 重原子数：
  118
• 可旋转键数：
  3
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  8,14,22-Tris(dinaphthalen-2-ylmethylidene)-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 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 0.5h， 以40%的产率得到8,14,22-Tris(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenylidene)-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
  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

文献信息

• Heterotriangulenes π-Expanded at Bridging Positions
  作者：Chih-Ming Chou、Shohei Saito、Shigehiro Yamaguchi

  DOI：10.1021/ol501004g

  日期：2014.6.6

  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.