2-[10-[15-[10-[4,5-Bis(decylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-9-ylidene]-4-tricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-2,5,13,16-tetraynylidene]anthracen-9-ylidene]-4,5-bis(decylsulfanyl)-1,3-dithiole | 1009807-11-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2-[10-[15-[10-[4,5-Bis(decylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-9-ylidene]-4-tricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-2,5,13,16-tetraynylidene]anthracen-9-ylidene]-4,5-bis(decylsulfanyl)-1,3-dithiole
• 英文别名: 2-[10-[15-[10-[4,5-bis(decylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-9-ylidene]-4-tricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-2,5,13,16-tetraynylidene]anthracen-9-ylidene]-4,5-bis(decylsulfanyl)-1,3-dithiole
• CAS: 1009807-11-7
• 化学式: C₉₆H₁₀₈S₈
• 分子量: 1518.44
• InChiKey: RZBLCKHKLKTFPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  33.5
• 重原子数：
  104
• 可旋转键数：
  40
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  202
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  、 1,2-二碘苯 在 四(三苯基膦)钯 copper(l) iodide 、 三乙胺 作用下， 以32 mg的产率得到2-[10-[15-[10-[4,5-Bis(decylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-9-ylidene]-4-tricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-2,5,13,16-tetraynylidene]anthracen-9-ylidene]-4,5-bis(decylsulfanyl)-1,3-dithiole
  参考文献：
  名称：

  Highly π-Extended TTF Analogues with a Conjugated Macrocyclic Enyne Core

  摘要：

  The synthesis of a class of highly pi-extended tetrathiafulvalene derivatives (11 a and 1b) was explored using Sonogashira macrocyclization as a key step. The solid-state structure of 1b was characterized by X-ray single crystallography, showing a substantially bent, S-shaped molecular backbone and an ordered packing geometry in a pi-alkyl-alkyl-pi stacking fashion. Electronic and redox properties of 1b were investigated by UV-vis absorption, fluorescence spectroscopy, and cyclic voltammetry.

  DOI：

  10.1021/ol703038m