4,11,17-Tris[2-(4-tert-butylphenyl)ethynyl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene | 1412392-58-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 4,11,17-Tris[2-(4-tert-butylphenyl)ethynyl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene
• 英文别名: 4,11,17-tris[2-(4-tert-butylphenyl)ethynyl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene
• CAS: 1412392-58-5
• 化学式: C₅₆H₅₀
• 分子量: 723.013
• InChiKey: XQJOQANWVGYJIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.9
• 重原子数：
  56
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  4,11,17-Tris[2-(4-tert-butylphenyl)ethynyl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene 、 2,3,4,5-tetrakis(4-(tert-butyl)phenyl)cyclopenta-2,4-dien-1-one 以 二苯醚 为溶剂， 反应 48.0h， 以43%的产率得到4,11,17-Tris[2,3,4,5,6-pentakis(4-tert-butylphenyl)phenyl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene
  参考文献：
  名称：

  Three-Dimensional Nanographene Based on Triptycene: Synthesis and Its Application in Fluorescence Imaging

  摘要：

  A novel kind of three-dimensional (3D) nanographene based on a triptycene structure bearing three hexa-peri-hexabenzocoronene (HBC) moieties was synthesized efficiently from triiodotriptycene. With the characteristic of intrinsic fluorescence, the 3D nanographene was used as a fluorescent agent for in vitro and in vivo fluorescence imaging with good antiphotobleaching ability and little toxicity.

  DOI：

  10.1021/ol302833t
• 作为产物：
  描述：

  2,6,14-三碘三蝶烯 、 4-叔-丁基苯基乙炔 在 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 反应 24.0h， 以70%的产率得到4,11,17-Tris[2-(4-tert-butylphenyl)ethynyl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene
  参考文献：
  名称：

  Three-Dimensional Nanographene Based on Triptycene: Synthesis and Its Application in Fluorescence Imaging

  摘要：

  A novel kind of three-dimensional (3D) nanographene based on a triptycene structure bearing three hexa-peri-hexabenzocoronene (HBC) moieties was synthesized efficiently from triiodotriptycene. With the characteristic of intrinsic fluorescence, the 3D nanographene was used as a fluorescent agent for in vitro and in vivo fluorescence imaging with good antiphotobleaching ability and little toxicity.

  DOI：

  10.1021/ol302833t

文献信息

• Three-Dimensional Nanographene Based on Triptycene: Synthesis and Its Application in Fluorescence Imaging
  作者：Chun Zhang、Ying Liu、Xiao-Qin Xiong、Lian-Hui Peng、Lu Gan、Chuan-Feng Chen、Hui-Bi Xu

  DOI：10.1021/ol302833t

  日期：2012.12.7

  A novel kind of three-dimensional (3D) nanographene based on a triptycene structure bearing three hexa-peri-hexabenzocoronene (HBC) moieties was synthesized efficiently from triiodotriptycene. With the characteristic of intrinsic fluorescence, the 3D nanographene was used as a fluorescent agent for in vitro and in vivo fluorescence imaging with good antiphotobleaching ability and little toxicity.