1,3,5-tri-(3,4,5-trioctylsulfanylphenyl)-6-oxoverdazyl | 1355037-31-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,3,5-tri-(3,4,5-trioctylsulfanylphenyl)-6-oxoverdazyl
• CAS: 1355037-31-8
• 化学式: C₉₂H₁₅₉N₄OS₉
• 分子量: 1625.89
• InChiKey: DTYDKRTYKZDVFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  39.4
• 重原子数：
  106
• 可旋转键数：
  75
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  265
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2,4,6-tri(3,4,5-trioctylsulfanylphenyl)-1,2,4,5-tetrazane-3-one 在 四丁基溴化铵 、 sodium carbonate 、 potassium hexacyanoferrate(III) 作用下， 以 二氯甲烷 为溶剂， 生成 1,3,5-tri-(3,4,5-trioctylsulfanylphenyl)-6-oxoverdazyl
  参考文献：
  名称：

  Photoconductive Liquid-Crystalline Derivatives of 6-Oxoverdazyl

  摘要：

  1,3,5-Triphenyl-6-oxoverdazyl radicals 1[n], in which each phenyl group is substituted with three alkylsulfanyl groups (n = 6, 8, 10), exhibit a monotropic columnar rectangular (Col(r)) phase below 60 C. Detailed analysis of 1[n] revealed a broad absorption band in the visible region with maxima at 540 and 610 nm and redox potentials E-1/2(0/+1) = +0.99 V and E-1/2(0/-1) = -0.45 V VS SCE. Photovoltaic studies of 1[8] demonstrated a hole mobility of 1.52 x 10(-3) cm(2) V-1 s-(1) in the mesophase with an activation energy of 0.06 +/- 0.01 eV. Magnetization studies of 1[8] revealed nearly ideal paramagnetic behavior in either the solid or fluid phase above 200 K and weak antiferromagnetic interactions at low temperatures.

  DOI：

  10.1021/ja209467h

文献信息

• Photoconductive Liquid-Crystalline Derivatives of 6-Oxoverdazyl
  作者：Aleksandra Jankowiak、Damian Pociecha、Jacek Szczytko、Hirosato Monobe、Piotr Kaszyński

  DOI：10.1021/ja209467h

  日期：2012.2.8

  1,3,5-Triphenyl-6-oxoverdazyl radicals 1[n], in which each phenyl group is substituted with three alkylsulfanyl groups (n = 6, 8, 10), exhibit a monotropic columnar rectangular (Col(r)) phase below 60 C. Detailed analysis of 1[n] revealed a broad absorption band in the visible region with maxima at 540 and 610 nm and redox potentials E-1/2(0/+1) = +0.99 V and E-1/2(0/-1) = -0.45 V VS SCE. Photovoltaic studies of 1[8] demonstrated a hole mobility of 1.52 x 10(-3) cm(2) V-1 s-(1) in the mesophase with an activation energy of 0.06 +/- 0.01 eV. Magnetization studies of 1[8] revealed nearly ideal paramagnetic behavior in either the solid or fluid phase above 200 K and weak antiferromagnetic interactions at low temperatures.