10,21,32,43,54,63-Hexakis[2,6-di(propan-2-yl)phenyl]-10,21,32,43,54,63-hexazanonadecacyclo[57.7.1.13,65.14,8.16,14.115,19.117,25.126,30.128,36.137,41.139,47.148,52.150,58.07,12.018,23.029,34.040,45.051,56.061,66]octaheptaconta-1,3(68),4,6(77),7(12),8(78),13,15,17(75),18(23),19(76),24,26(74),27,29,34,36(73),37(72),38,40,45,47(71),48(70),49,51,56,58(69),59(67),60,65-triacontaene-9,11,20,22,31,33,42,44,53,55,62,64-dodecone | 1449490-02-1

• 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: 10,21,32,43,54,63-Hexakis[2,6-di(propan-2-yl)phenyl]-10,21,32,43,54,63-hexazanonadecacyclo[57.7.1.13,65.14,8.16,14.115,19.117,25.126,30.128,36.137,41.139,47.148,52.150,58.07,12.018,23.029,34.040,45.051,56.061,66]octaheptaconta-1,3(68),4,6(77),7(12),8(78),13,15,17(75),18(23),19(76),24,26(74),27,29,34,36(73),37(72),38,40,45,47(71),48(70),49,51,56,58(69),59(67),60,65-triacontaene-9,11,20,22,31,33,42,44,53,55,62,64-dodecone
• 英文别名: 10,21,32,43,54,63-hexakis[2,6-di(propan-2-yl)phenyl]-10,21,32,43,54,63-hexazanonadecacyclo[57.7.1.13,65.14,8.16,14.115,19.117,25.126,30.128,36.137,41.139,47.148,52.150,58.07,12.018,23.029,34.040,45.051,56.061,66]octaheptaconta-1,3(68),4,6(77),7(12),8(78),13,15,17(75),18(23),19(76),24,26(74),27,29,34,36(73),37(72),38,40,45,47(71),48(70),49,51,56,58(69),59(67),60,65-triacontaene-9,11,20,22,31,33,42,44,53,55,62,64-dodecone
• CAS: 1449490-02-1
• 化学式: C₁₄₄H₁₂₆N₆O₁₂
• 分子量: 2132.62
• InChiKey: BEGKECISEHTUGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  34
• 重原子数：
  162
• 可旋转键数：
  18
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  224
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  5,8-Bis[8-bromo-2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]-2-[2,6-di(propan-2-yl)phenyl]benzo[de]isoquinoline-1,3-dione 在 2,2'-联吡啶 、 bis(1,5-cyclooctadiene)nickel (0) 、 1,5-环辛二烯 、 盐酸 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 15.5h， 以75%的产率得到10,21,32,43,54,63-Hexakis[2,6-di(propan-2-yl)phenyl]-10,21,32,43,54,63-hexazanonadecacyclo[57.7.1.13,65.14,8.16,14.115,19.117,25.126,30.128,36.137,41.139,47.148,52.150,58.07,12.018,23.029,34.040,45.051,56.061,66]octaheptaconta-1,3(68),4,6(77),7(12),8(78),13,15,17(75),18(23),19(76),24,26(74),27,29,34,36(73),37(72),38,40,45,47(71),48(70),49,51,56,58(69),59(67),60,65-triacontaene-9,11,20,22,31,33,42,44,53,55,62,64-dodecone
  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

文献信息

• Convergent synthesis of hexameric naphthylene macrocycles with dicarboxylic imide appendages
  作者：Jing Yang Xue、Waka Nakanishi、Daiki Tanimoto、Daisuke Hara、Yuta Nakamura、Hiroyuki Isobe

  DOI：10.1016/j.tetlet.2013.07.025

  日期：2013.9

  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.