11,29-Dihexadecyl-2,20,37,38,39,40-hexazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),21(38),22,24,26,28,30(37),31,33,35-nonadecaene | 1172636-84-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 11,29-Dihexadecyl-2,20,37,38,39,40-hexazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),21(38),22,24,26,28,30(37),31,33,35-nonadecaene
• 英文别名: 11,29-dihexadecyl-2,20,37,38,39,40-hexazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),21(38),22,24,26,28,30(37),31,33,35-nonadecaene
• CAS: 1172636-84-8
• 化学式: C₆₆H₈₄N₆
• 分子量: 961.433
• InChiKey: PDLZDLHCHAFCBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.7
• 重原子数：
  72
• 可旋转键数：
  30
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  83.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 硫酸 作用下， 反应 1.0h， 以65%的产率得到11,29-Dihexadecyl-2,20,37,38,39,40-hexazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),21(38),22,24,26,28,30(37),31,33,35-nonadecaene
  参考文献：
  名称：

  Synthesis and Induction of Mesomorphic Properties of Tetrabenzoporphine Derivatives

  摘要：

  Zinc complexes of meso-alkyl-substituted tetrabenzoporphines and their aza-derivatives have been. synthesized using the interaction of phthalimide or its derivatives with zinc salts of the carboxylic acids. The porphyrin-ligands were obtained on the basis of the above mentioned compounds. The spectral and mesomorphic properties of the synthesized compounds were studied.

  DOI：

  10.1080/15421400802429986

文献信息

• Synthesis and Induction of Mesomorphic Properties of Tetrabenzoporphine Derivatives
  作者：V. Bykova、N. Usol'tseva、E. Kudrik、N. Galanin、G. Shaposhnikov、L. Yakubov

  DOI：10.1080/15421400802429986

  日期：2008.12.2

  Zinc complexes of meso-alkyl-substituted tetrabenzoporphines and their aza-derivatives have been. synthesized using the interaction of phthalimide or its derivatives with zinc salts of the carboxylic acids. The porphyrin-ligands were obtained on the basis of the above mentioned compounds. The spectral and mesomorphic properties of the synthesized compounds were studied.