18,36,37,53,54,83-Hexamethoxy-3,15,21,33,40,50-hexaoxanonadecacyclo[17.17.17.179,46.347,49.14,8.110,14.117,52.122,26.128,32.135,38.141,45.627,66.19,68.027,67.046,65.058,63.064,75.069,74.076,81]heptaoctaconta-1(36),4,6,8(87),10(86),11,13,17,19(53),22,24,26(85),28(84),29,31,35(83),37,41,43,45(82),47,49(55),52(54),56,58,60,62,64,66,68(75),69,71,73,76,78,80-hexatriacontaene | 1274941-82-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 18,36,37,53,54,83-Hexamethoxy-3,15,21,33,40,50-hexaoxanonadecacyclo[17.17.17.179,46.347,49.14,8.110,14.117,52.122,26.128,32.135,38.141,45.627,66.19,68.027,67.046,65.058,63.064,75.069,74.076,81]heptaoctaconta-1(36),4,6,8(87),10(86),11,13,17,19(53),22,24,26(85),28(84),29,31,35(83),37,41,43,45(82),47,49(55),52(54),56,58,60,62,64,66,68(75),69,71,73,76,78,80-hexatriacontaene
• 英文别名: 18,36,37,53,54,83-hexamethoxy-3,15,21,33,40,50-hexaoxanonadecacyclo[17.17.17.179,46.347,49.14,8.110,14.117,52.122,26.128,32.135,38.141,45.627,66.19,68.027,67.046,65.058,63.064,75.069,74.076,81]heptaoctaconta-1(36),4,6,8(87),10(86),11,13,17,19(53),22,24,26(85),28(84),29,31,35(83),37,41,43,45(82),47,49(55),52(54),56,58,60,62,64,66,68(75),69,71,73,76,78,80-hexatriacontaene
• CAS: 1274941-82-0
• 化学式: C₈₇H₆₆O₁₂
• 分子量: 1303.47
• InChiKey: JCKZOEQKGSZRQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 重原子数：
  99
• 可旋转键数：
  6
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  5,10,15-hexa(m-hydroxyphenyl)truxene 、 1,3,5-三(溴甲基)-2,4,6-(三甲氧基)苯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 66.0h， 以10%的产率得到18,36,37,53,54,83-Hexamethoxy-3,15,21,33,40,50-hexaoxanonadecacyclo[17.17.17.179,46.347,49.14,8.110,14.117,52.122,26.128,32.135,38.141,45.627,66.19,68.027,67.046,65.058,63.064,75.069,74.076,81]heptaoctaconta-1(36),4,6,8(87),10(86),11,13,17,19(53),22,24,26(85),28(84),29,31,35(83),37,41,43,45(82),47,49(55),52(54),56,58,60,62,64,66,68(75),69,71,73,76,78,80-hexatriacontaene
  参考文献：
  名称：

  5,10,15-六芳基Tru烯的轻松合成：结构和性能

  摘要：

  已经开发了5,10,15-六芳基甲苯衍生物的新合成。实验观察和理论计算证实，在sp 3-杂化桥碳原子上芳基取代基的存在对戊烯核的光物理性质有影响。有趣的是，通过X射线衍射分析证实了具有畸变的戊烯核的笼状化合物11。由于其分子刚性，外围芳基取代基对戊二烯核的光物理性质的影响减小了。

  DOI：

  10.1021/ol200227w

文献信息

• Facile Synthesis of 5,10,15-Hexaaryl Truxenes: Structure and Properties
  作者：Min-Tzu Kao、Jia-Hong Chen、Ying-Ying Chu、Kuo-Pi Tseng、Chia-Huei Hsu、Ken-Tsung Wong、Che-Wei Chang、Chao-Ping Hsu、Yi-Hung Liu

  DOI：10.1021/ol200227w

  日期：2011.4.1

  A new synthesis of 5,10,15-hexaaryltruxene derivatives has been developed. Experimental observations and theoretical calculations confirmed that the presence of aryl substituents on the sp3-hybridized bridge carbon atoms had an effect on the photophysical properties of the truxene core. Interestingly, the cage compound 11 possessing a distorted truxene core was verified by X-ray diffraction analysis;

  已经开发了5,10,15-六芳基甲苯衍生物的新合成。实验观察和理论计算证实，在sp 3-杂化桥碳原子上芳基取代基的存在对戊烯核的光物理性质有影响。有趣的是，通过X射线衍射分析证实了具有畸变的戊烯核的笼状化合物11。由于其分子刚性，外围芳基取代基对戊二烯核的光物理性质的影响减小了。