2-[3,6-bis[2-[4-[2-(2,6-dioctoxyphenyl)ethynyl]phenyl]ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane | 1444561-99-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-[3,6-bis[2-[4-[2-(2,6-dioctoxyphenyl)ethynyl]phenyl]ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane
• CAS: 1444561-99-2
• 化学式: C₈₆H₁₀₅NO₄Si₂
• 分子量: 1272.95
• InChiKey: ZIRWDVAMKKFVSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.34
• 重原子数：
  93
• 可旋转键数：
  44
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  52.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[3,6-bis[2-[4-[2-(2,6-dioctoxyphenyl)ethynyl]phenyl]ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane 在 四丁基溴化铵 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 0.17h， 以97%的产率得到
  参考文献：
  名称：

  Effective π-Extension of Carbazole-Based Thiaporphyrins by Peripheral Phenylethynyl Substituents

  摘要：

  Several tetrakis(phenylethynyl)- and (phenylethynylphenylethynyl)-substituted carbazole-based thiaporphyrins were synthesized. These pi-extended porphyrins display remarkably intensified and red-shifted absorption bands in the NIR region up to 1126 nm due to perturbation by the phenylethynyl substituents.

  DOI：

  10.1021/ol401403n
• 作为产物：
  描述：

  3,6-dibromo-1,8-bis(trimethylsilylethynyl)carbazole 、 [4-(2,6-dioctyloxyphenylethynyl)phenylethynyl]tributyltin 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以46%的产率得到2-[3,6-bis[2-[4-[2-(2,6-dioctoxyphenyl)ethynyl]phenyl]ethynyl]-8-(2-trimethylsilylethynyl)-9H-carbazol-1-yl]ethynyl-trimethylsilane
  参考文献：
  名称：

  Effective π-Extension of Carbazole-Based Thiaporphyrins by Peripheral Phenylethynyl Substituents

  摘要：

  Several tetrakis(phenylethynyl)- and (phenylethynylphenylethynyl)-substituted carbazole-based thiaporphyrins were synthesized. These pi-extended porphyrins display remarkably intensified and red-shifted absorption bands in the NIR region up to 1126 nm due to perturbation by the phenylethynyl substituents.

  DOI：

  10.1021/ol401403n