6,15,23,32-Tetrakis[2-[4-[2-(2,6-dioctoxyphenyl)ethynyl]phenyl]ethynyl]-2,19-diazaheptacyclo[28.4.0.03,8.04,34.013,18.017,21.020,25]tetratriaconta-1(30),3(8),4,6,13(18),14,16,20(25),21,23,31,33-dodecaen-9,11,26,28-tetrayne | 1444562-07-5

• 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: 6,15,23,32-Tetrakis[2-[4-[2-(2,6-dioctoxyphenyl)ethynyl]phenyl]ethynyl]-2,19-diazaheptacyclo[28.4.0.03,8.04,34.013,18.017,21.020,25]tetratriaconta-1(30),3(8),4,6,13(18),14,16,20(25),21,23,31,33-dodecaen-9,11,26,28-tetrayne
• CAS: 1444562-07-5
• 化学式: C₁₆₀H₁₇₄N₂O₈
• 分子量: 2253.15
• InChiKey: WFRYIHSBXFQWIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  51
• 重原子数：
  170
• 可旋转键数：
  80
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6,15,23,32-Tetrakis[2-[4-[2-(2,6-dioctoxyphenyl)ethynyl]phenyl]ethynyl]-2,19-diazaheptacyclo[28.4.0.03,8.04,34.013,18.017,21.020,25]tetratriaconta-1(30),3(8),4,6,13(18),14,16,20(25),21,23,31,33-dodecaen-9,11,26,28-tetrayne 在 sodiumsulfide nonahydrate 作用下， 以 乙二醇甲醚 、 对二甲苯 为溶剂， 反应 11.0h， 以84%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：

  在 吡啶 、 copper diacetate 作用下， 以 甲苯 为溶剂， 反应 96.0h， 以30%的产率得到6,15,23,32-Tetrakis[2-[4-[2-(2,6-dioctoxyphenyl)ethynyl]phenyl]ethynyl]-2,19-diazaheptacyclo[28.4.0.03,8.04,34.013,18.017,21.020,25]tetratriaconta-1(30),3(8),4,6,13(18),14,16,20(25),21,23,31,33-dodecaen-9,11,26,28-tetrayne
  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