4-[2-[4-[2-[2,6-bis[(4-dodecoxyphenyl)carbamoyl]pyridin-4-yl]ethynyl]thiophen-3-yl]ethynyl]-2-N,6-N-bis(4-dodecoxyphenyl)pyridine-2,6-dicarboxamide | 1312550-98-3

• 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: 4-[2-[4-[2-[2,6-bis[(4-dodecoxyphenyl)carbamoyl]pyridin-4-yl]ethynyl]thiophen-3-yl]ethynyl]-2-N,6-N-bis(4-dodecoxyphenyl)pyridine-2,6-dicarboxamide
• CAS: 1312550-98-3
• 化学式: C₉₄H₁₂₆N₆O₈S
• 分子量: 1500.14
• InChiKey: UJIQWEDWCGAZCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30.4
• 重原子数：
  109
• 可旋转键数：
  60
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  207
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  4-bromo-N2,N6-bis(4-(dodecyloxy)phenyl)pyridine-2,6-dicarboxamide 、 3,4-二乙炔基噻吩 在 copper(l) iodide 、 四(三苯基膦)钯 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以35%的产率得到4-[2-[4-[2-[2,6-bis[(4-dodecoxyphenyl)carbamoyl]pyridin-4-yl]ethynyl]thiophen-3-yl]ethynyl]-2-N,6-N-bis(4-dodecoxyphenyl)pyridine-2,6-dicarboxamide
  参考文献：
  名称：

  Chiral Amplification in One-Dimensional Helical Nanostructures Self-Organized from Phenylethynyl Thiophene with Elaborated Long-Chain Dicarboxamides

  摘要：

  A bis-phenylethynyl thiophene derivative functionalized with long-chain pyridyl biscarboxamides displayed unique helical morphology in the xerogel form via nicely complementary intermolecular interactions. The helical nanostructures visualized by TEM and AFM remarkably matched well with the computational results. Supramolecular chirality can be amplified by coassembly of a chiral conductor to bias the helical arrangement.

  DOI：

  10.1021/jo200573y

文献信息

• Chiral Amplification in One-Dimensional Helical Nanostructures Self-Organized from Phenylethynyl Thiophene with Elaborated Long-Chain Dicarboxamides
  作者：Chun-Hsian Li、Kai-Chi Chang、Chia-Chen Tsou、Yikang Lan、Hsiao-Ching Yang、Shih-Sheng Sun

  DOI：10.1021/jo200573y

  日期：2011.7.15

  A bis-phenylethynyl thiophene derivative functionalized with long-chain pyridyl biscarboxamides displayed unique helical morphology in the xerogel form via nicely complementary intermolecular interactions. The helical nanostructures visualized by TEM and AFM remarkably matched well with the computational results. Supramolecular chirality can be amplified by coassembly of a chiral conductor to bias the helical arrangement.