5,11,47,53-Tetratert-butyl-15,18,40,43,56,59-hexaoxa-26,29,32,67-tetrazadecacyclo[27.25.15.13,7.113,45.09,14.019,24.034,39.044,49.051,55.060,65]henheptaconta-1(55),3,5,7(71),9(14),10,12,19,21,23,34,36,38,44,46,48,51,53,60,62,64-henicosaen-71-ol

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,11,47,53-Tetratert-butyl-15,18,40,43,56,59-hexaoxa-26,29,32,67-tetrazadecacyclo[27.25.15.13,7.113,45.09,14.019,24.034,39.044,49.051,55.060,65]henheptaconta-1(55),3,5,7(71),9(14),10,12,19,21,23,34,36,38,44,46,48,51,53,60,62,64-henicosaen-71-ol
• 化学式: C₇₇H₉₈N₄O₇
• 分子量: 1191.65
• InChiKey: IKKDLLMIYZNGHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.6
• 重原子数：
  88
• 可旋转键数：
  4
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 生成 5,11,47,53-Tetratert-butyl-15,18,40,43,56,59-hexaoxa-26,29,32,67-tetrazadecacyclo[27.25.15.13,7.113,45.09,14.019,24.034,39.044,49.051,55.060,65]henheptaconta-1(55),3,5,7(71),9(14),10,12,19,21,23,34,36,38,44,46,48,51,53,60,62,64-henicosaen-71-ol
  参考文献：
  名称：

  Synthesis of the tripodal-amine capped benzo crown p-tert-butylcalix[4]arene and its host-guest chemistry

  摘要：

  The tripodal-amine capped benzo crown p-rert-butylcalix[4]arene (6) was synthesised. The basicity of the nitrogen donors in 6 based on the protonation constants was measured by potentiometric titration. The complexation studies of 6 with Zn(II) ions were also carried out by H-1 NMR spectroscopy. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00738-7