11,36-Bis[2,6-di(propan-2-yl)phenyl]-11,36-diazapentadecacyclo[46.2.2.219,22.223,26.241,44.14,50.15,9.17,15.116,20.125,29.130,34.132,40.143,47.08,13.033,38]hexahexaconta-1(50),2,4(53),5,7(65),8(13),9(66),14,16(64),17,19,21,23,25,27,29(59),30(58),31,33,38,40(57),41,43,45,47(54),48,51,55,60,62-triacontaene-10,12,35,37-tetrone | 1449490-04-3

• 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: 11,36-Bis[2,6-di(propan-2-yl)phenyl]-11,36-diazapentadecacyclo[46.2.2.219,22.223,26.241,44.14,50.15,9.17,15.116,20.125,29.130,34.132,40.143,47.08,13.033,38]hexahexaconta-1(50),2,4(53),5,7(65),8(13),9(66),14,16(64),17,19,21,23,25,27,29(59),30(58),31,33,38,40(57),41,43,45,47(54),48,51,55,60,62-triacontaene-10,12,35,37-tetrone
• 英文别名: 11,36-bis[2,6-di(propan-2-yl)phenyl]-11,36-diazapentadecacyclo[46.2.2.219,22.223,26.241,44.14,50.15,9.17,15.116,20.125,29.130,34.132,40.143,47.08,13.033,38]hexahexaconta-1(50),2,4(53),5,7(65),8(13),9(66),14,16(64),17,19,21,23,25,27,29(59),30(58),31,33,38,40(57),41,43,45,47(54),48,51,55,60,62-triacontaene-10,12,35,37-tetrone
• CAS: 1449490-04-3
• 化学式: C₈₈H₆₆N₂O₄
• 分子量: 1215.5
• InChiKey: LVDBROHVDJYGFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.8
• 重原子数：
  94
• 可旋转键数：
  6
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5,8-Bis(7-bromonaphthalen-2-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 29.5h， 以24%的产率得到11,36-Bis[2,6-di(propan-2-yl)phenyl]-11,36-diazapentadecacyclo[46.2.2.219,22.223,26.241,44.14,50.15,9.17,15.116,20.125,29.130,34.132,40.143,47.08,13.033,38]hexahexaconta-1(50),2,4(53),5,7(65),8(13),9(66),14,16(64),17,19,21,23,25,27,29(59),30(58),31,33,38,40(57),41,43,45,47(54),48,51,55,60,62-triacontaene-10,12,35,37-tetrone
  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.