11,22,40,51-Tetrakis[2,6-di(propan-2-yl)phenyl]-11,22,40,51-tetrazaheptadecacyclo[54.2.2.227,30.14,58.15,9.17,15.116,20.118,26.129,33.134,38.136,44.145,49.147,55.08,13.019,24.037,42.048,53]doheptaconta-1(58),2,4(61),5(72),6,8,13,15(71),16,18(69),19(24),20(70),25,27,29,31,33(66),34(65),35,37,42,44(64),45,47(62),48(53),49(63),54,56,59,67-triacontaene-10,12,21,23,39,41,50,52-octone | 1449490-03-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 11,22,40,51-Tetrakis[2,6-di(propan-2-yl)phenyl]-11,22,40,51-tetrazaheptadecacyclo[54.2.2.227,30.14,58.15,9.17,15.116,20.118,26.129,33.134,38.136,44.145,49.147,55.08,13.019,24.037,42.048,53]doheptaconta-1(58),2,4(61),5(72),6,8,13,15(71),16,18(69),19(24),20(70),25,27,29,31,33(66),34(65),35,37,42,44(64),45,47(62),48(53),49(63),54,56,59,67-triacontaene-10,12,21,23,39,41,50,52-octone
• CAS: 1449490-03-2
• 化学式: C₁₁₆H₉₆N₄O₈
• 分子量: 1674.06
• InChiKey: ZXMFZGXECVFZMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  28.4
• 重原子数：
  128
• 可旋转键数：
  12
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  150
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 三苯基膦 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以82mg的产率得到11,22,40,51-Tetrakis[2,6-di(propan-2-yl)phenyl]-11,22,40,51-tetrazaheptadecacyclo[54.2.2.227,30.14,58.15,9.17,15.116,20.118,26.129,33.134,38.136,44.145,49.147,55.08,13.019,24.037,42.048,53]doheptaconta-1(58),2,4(61),5(72),6,8,13,15(71),16,18(69),19(24),20(70),25,27,29,31,33(66),34(65),35,37,42,44(64),45,47(62),48(53),49(63),54,56,59,67-triacontaene-10,12,21,23,39,41,50,52-octone
  参考文献：
  名称：

  Convergent synthesis of hexameric naphthylene macrocycles with dicarboxylic imide appendages

  摘要：

  A series of macrocyclic compounds, [6]cyclo-2,7-naphthylenes ([6]CNAP), composed of six naphthylene units are synthesized through a [3+3] convergent route in good to moderate yields. The synthesis method allowed for the introduction of dicarboxylic imide moieties to the naphthylene units. Crystallographic analysis of a derivative possessing four imide groups showed a trimeric columnar assembly with an alignment of nanometer-sized macrocyclic pores. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.025