13-[[4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane | 210093-66-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 13-[[4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
• 英文别名: 13-[[4-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
• CAS: 210093-66-6
• 化学式: C₄₉H₆₀F₆N₂O₈S₂
• 分子量: 983.146
• InChiKey: YDAFUJPTXOJPIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  67
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  13-[[4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane 生成 13-[[4-[(1R,2R)-8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenyl]methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
  参考文献：
  名称：

  Photochromic bis(monoaza-crown ether)s. Alkali-metal cation complexing properties of novel diarylethenes

  摘要：

  The novel bis(monoaza-crown ether) diarylethenes 1 and 2 have been synthesized and their photochromism and the ion-complexation properties of both photoisomers have been investigated. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00843-0
• 作为产物：
  描述：

  4-溴-5-甲基噻吩-2-硼酸 在 盐酸 、 四(三苯基膦)钯 、 正丁基锂 、 四溴化碳 、 4-甲基苯磺酸吡啶 、 sodium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 13-[[4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)phenyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]methyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
  参考文献：
  名称：

  Photochromic bis(monoaza-crown ether)s. Alkali-metal cation complexing properties of novel diarylethenes

  摘要：

  The novel bis(monoaza-crown ether) diarylethenes 1 and 2 have been synthesized and their photochromism and the ion-complexation properties of both photoisomers have been investigated. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00843-0

文献信息

• Photochromic bis(monoaza-crown ether)s. Alkali-metal cation complexing properties of novel diarylethenes
  作者：Stephen H. Kawai

  DOI：10.1016/s0040-4039(98)00843-0

  日期：1998.6

  The novel bis(monoaza-crown ether) diarylethenes 1 and 2 have been synthesized and their photochromism and the ion-complexation properties of both photoisomers have been investigated. (C) 1998 Elsevier Science Ltd. All rights reserved.