3-[4-[3-[3-[1-[1-[4-(2-Cyanoethylsulfanyl)phenyl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-3-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-3-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-1-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-1-yl]phenyl]sulfanylpropanenitrile | 1355647-52-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 3-[4-[3-[3-[1-[1-[4-(2-Cyanoethylsulfanyl)phenyl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-3-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-3-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-1-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-1-yl]phenyl]sulfanylpropanenitrile
• 英文别名: 3-[4-[3-[3-[1-[1-[4-(2-cyanoethylsulfanyl)phenyl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-3-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-3-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-1-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-1-yl]phenyl]sulfanylpropanenitrile
• CAS: 1355647-52-7
• 化学式: C₁₅₈H₁₉₂N₂S₆
• 分子量: 2311.67
• InChiKey: LXCYNEIBZIZIGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  55.5
• 重原子数：
  166
• 可旋转键数：
  67
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  211
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-[4-[3-[3-[1-[1-[4-(2-Cyanoethylsulfanyl)phenyl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-3-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-3-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-1-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-1-yl]phenyl]sulfanylpropanenitrile 在 cesiumhydroxide monohydrate 作用下， 以 乙醇 、 邻二氯苯 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  完全封装的寡噻吩：合成，性质和单分子电导

  摘要：

  适当的屏蔽：描述了用于研究单分子电导的封装的寡聚噻吩。氧化物种的UV / Vis / NIR测量表明，共轭骨架之间没有分子间相互作用。单分子结的电导率通​​过改进的STM技术测量（参见图片），衰减常数β确定为1.9 nm -1。SMU =源计量单位。

  DOI：

  10.1002/anie.201104700
• 作为产物：
  描述：

  3-((4-(1-(2',7'-dioctyl-1-(tributylstannyl)-4H,6H-spiro[cyclopenta[c]thiophene-5,9'-fluoren]-3-yl)-2',7'-dioctyl-4H,6H-spiro[cyclopenta[c]thiophene-5,9'-fluoren]-3-yl)phenyl)thio)propanenitrile 在 palladium diacetate 、 copper dichloride 作用下， 以 四氢呋喃 为溶剂， 以40%的产率得到3-[4-[3-[3-[1-[1-[4-(2-Cyanoethylsulfanyl)phenyl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-3-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-3-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-1-yl]-2',7'-dioctylspiro[4,6-dihydrocyclopenta[c]thiophene-5,9'-fluorene]-1-yl]phenyl]sulfanylpropanenitrile
  参考文献：
  名称：

  完全封装的寡噻吩：合成，性质和单分子电导

  摘要：

  适当的屏蔽：描述了用于研究单分子电导的封装的寡聚噻吩。氧化物种的UV / Vis / NIR测量表明，共轭骨架之间没有分子间相互作用。单分子结的电导率通​​过改进的STM技术测量（参见图片），衰减常数β确定为1.9 nm -1。SMU =源计量单位。

  DOI：

  10.1002/anie.201104700

文献信息

• Completely Encapsulated Oligothiophenes: Synthesis, Properties, and Single-Molecule Conductance
  作者：Yutaka Ie、Masaru Endou、See Kei Lee、Ryo Yamada、Hirokazu Tada、Yoshio Aso

  DOI：10.1002/anie.201104700

  日期：2011.12.9

  Proper shielding: Encapsulated oligothiophenes for the investigation of single‐molecule conductance are described. UV/Vis/NIR measurements of the oxidized species show the absence of intermolecular interactions between the conjugated backbones. The conductance of a single‐molecule junction was measured by modified STM techniques (see picture), and the decay constant β was determined to be 1.9 nm−1

  适当的屏蔽：描述了用于研究单分子电导的封装的寡聚噻吩。氧化物种的UV / Vis / NIR测量表明，共轭骨架之间没有分子间相互作用。单分子结的电导率通​​过改进的STM技术测量（参见图片），衰减常数β确定为1.9 nm -1。SMU =源计量单位。