| 1430223-40-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 1430223-40-7
• 化学式: C₂₆H₃₂N₂O₆
• 分子量: 468.55
• InChiKey: CFRLETLLVYOFFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  34.0
• 可旋转键数：
  16.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  107.42
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  、 1,2-bis(5-formyl-2-methylthien-3-yl)cyclopentene 在 dibenzylammonium hexafluorophosphate 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and properties of template-promoted switchable dithienylethene-based macrocycles

  摘要：

  Three switchable macrocycles based on photochromic dithienylethene were synthesized under the template of dibenzylammonium hexafluorophosphate. Their structure were well-confirmed by NMR, ESI-MS and X-ray diffraction. Their photochromism indicated that they showed good reversibility in solution. Additionally, the theoretical calculation suggested that photoirradiation can change the cavity of macrocycles. (C) 2013 Jun Yin. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.02.006