17-(18-Hydroxy-34-phenylmethoxy-20,22,25,27,30,32-hexaoxaundecacyclo[26.21.0.02,24.03,8.09,23.010,19.011,16.029,43.033,42.036,41.044,49]nonatetraconta-1(28),2(24),3,5,7,9(23),10(19),11,13,15,17,29(43),33(42),34,36,38,40,44,46,48-icosaen-17-yl)-34-phenylmethoxy-20,22,25,27,30,32-hexaoxaundecacyclo[26.21.0.02,24.03,8.09,23.010,19.011,16.029,43.033,42.036,41.044,49]nonatetraconta-1(28),2(24),3,5,7,9(23),10(19),11,13,15,17,29(43),33(42),34,36,38,40,44,46,48-icosaen-18-ol

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 17-(18-Hydroxy-34-phenylmethoxy-20,22,25,27,30,32-hexaoxaundecacyclo[26.21.0.02,24.03,8.09,23.010,19.011,16.029,43.033,42.036,41.044,49]nonatetraconta-1(28),2(24),3,5,7,9(23),10(19),11,13,15,17,29(43),33(42),34,36,38,40,44,46,48-icosaen-17-yl)-34-phenylmethoxy-20,22,25,27,30,32-hexaoxaundecacyclo[26.21.0.02,24.03,8.09,23.010,19.011,16.029,43.033,42.036,41.044,49]nonatetraconta-1(28),2(24),3,5,7,9(23),10(19),11,13,15,17,29(43),33(42),34,36,38,40,44,46,48-icosaen-18-ol
• 英文别名: 17-(18-hydroxy-34-phenylmethoxy-20,22,25,27,30,32-hexaoxaundecacyclo[26.21.0.02,24.03,8.09,23.010,19.011,16.029,43.033,42.036,41.044,49]nonatetraconta-1(28),2(24),3,5,7,9(23),10(19),11,13,15,17,29(43),33(42),34,36,38,40,44,46,48-icosaen-17-yl)-34-phenylmethoxy-20,22,25,27,30,32-hexaoxaundecacyclo[26.21.0.02,24.03,8.09,23.010,19.011,16.029,43.033,42.036,41.044,49]nonatetraconta-1(28),2(24),3,5,7,9(23),10(19),11,13,15,17,29(43),33(42),34,36,38,40,44,46,48-icosaen-18-ol
• 化学式: C₁₀₀H₆₂O₁₆
• 分子量: 1519.58
• InChiKey: PIGOEVJXSUVBHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.4
• 重原子数：
  116
• 可旋转键数：
  7
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  170
• 氢给体数：
  2
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  溴氯甲烷 、 17-(18-Hydroxy-34-phenylmethoxy-20,22,25,27,30,32-hexaoxaundecacyclo[26.21.0.02,24.03,8.09,23.010,19.011,16.029,43.033,42.036,41.044,49]nonatetraconta-1(28),2(24),3,5,7,9(23),10(19),11,13,15,17,29(43),33(42),34,36,38,40,44,46,48-icosaen-17-yl)-34-phenylmethoxy-20,22,25,27,30,32-hexaoxaundecacyclo[26.21.0.02,24.03,8.09,23.010,19.011,16.029,43.033,42.036,41.044,49]nonatetraconta-1(28),2(24),3,5,7,9(23),10(19),11,13,15,17,29(43),33(42),34,36,38,40,44,46,48-icosaen-18-ol 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以85%的产率得到
  参考文献：
  名称：

  螺旋寡聚邻二恶英在溶液和固态下均显示强烈的圆偏振发光（CPL）

  摘要：

  合成了一系列低聚萘并二恶英，揭示了一个螺旋排列的八聚体（R，R，R，R，R，R，R，R）-3，在溶液和固态下均显示出强烈的圆偏振发光（CPL）。荧光量子产率（Φ FL）在溶液中和在固态下为0.90和0.22，分别与克LUM在溶液中和在固体状态值+ 2.2×10人-3 + 7.0×10和-3，分别。这是最高的固态CPL之一克LUM尚未报告的值。高Φ FL和克LUM值是由于刚性，以及这样的事实：（- [R ，- [R ，- [R ，- [R ，- [R ，- [R ，- [R ）- 3是一个非平面分子。此外，（R，R，R，R，R，R，R，R）-3在化学和立体化学上都是高度稳定的。

  DOI：

  10.1002/chem.201702143
• 作为产物：
  描述：

  在 异丙胺 、 copper dichloride 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 7.0h， 生成 17-(18-Hydroxy-34-phenylmethoxy-20,22,25,27,30,32-hexaoxaundecacyclo[26.21.0.02,24.03,8.09,23.010,19.011,16.029,43.033,42.036,41.044,49]nonatetraconta-1(28),2(24),3,5,7,9(23),10(19),11,13,15,17,29(43),33(42),34,36,38,40,44,46,48-icosaen-17-yl)-34-phenylmethoxy-20,22,25,27,30,32-hexaoxaundecacyclo[26.21.0.02,24.03,8.09,23.010,19.011,16.029,43.033,42.036,41.044,49]nonatetraconta-1(28),2(24),3,5,7,9(23),10(19),11,13,15,17,29(43),33(42),34,36,38,40,44,46,48-icosaen-18-ol
  参考文献：
  名称：

  Multibridged Chiral Naphthalene Oligomers with Continuous Extreme-Cisoid Conformation

  摘要：

  Axially chiral 2,2'-methylenedioxy-bridged-1,1'-binaphthyls, quaternaphthalenes, and octinaphthalenes were synthesized and their optical properties researched. 2,2'-Methylenedioxy bridges led to a continuous extremely cisoid conformation and subsequent extensive conjugation in the rod direction. Therefore, the absorption and fluorescence regions were red-shifted as the number of naphthalene rings increased. These oligonaphthalenes fluoresced in both solution and the solid state. Furthermore, DFT calculations showed that the LUMO and HOMO of these bridged oligonaphthalenes were spread over a wide range.

  DOI：

  10.1021/ol100582v

文献信息

• Multibridged Chiral Naphthalene Oligomers with Continuous Extreme-Cisoid Conformation
  作者：Kazuto Takaishi、Masuki Kawamoto、Kazunori Tsubaki

  DOI：10.1021/ol100582v

  日期：2010.4.16

  Axially chiral 2,2'-methylenedioxy-bridged-1,1'-binaphthyls, quaternaphthalenes, and octinaphthalenes were synthesized and their optical properties researched. 2,2'-Methylenedioxy bridges led to a continuous extremely cisoid conformation and subsequent extensive conjugation in the rod direction. Therefore, the absorption and fluorescence regions were red-shifted as the number of naphthalene rings increased. These oligonaphthalenes fluoresced in both solution and the solid state. Furthermore, DFT calculations showed that the LUMO and HOMO of these bridged oligonaphthalenes were spread over a wide range.
• Helical Oligonaphthodioxepins Showing Intense Circularly Polarized Luminescence (CPL) in Solution and in the Solid State
  作者：Kazuto Takaishi、Takahiro Yamamoto、Sakiko Hinoide、Tadashi Ema

  DOI：10.1002/chem.201702143

  日期：2017.7.12

  revealing a helically arranged octamer, (R,R,R,R,R,R,R)-3, which showed intense circularly polarized luminescence (CPL) both in solution and in the solid state. The fluorescence quantum yields (ΦFL) in solution and in the solid state were 0.90 and 0.22, respectively, and the glum values in solution and in the solid state were +2.2×10−3 and +7.0×10−3, respectively. This is one of the highest solid-state CPL

  合成了一系列低聚萘并二恶英，揭示了一个螺旋排列的八聚体（R，R，R，R，R，R，R，R）-3，在溶液和固态下均显示出强烈的圆偏振发光（CPL）。荧光量子产率（Φ FL）在溶液中和在固态下为0.90和0.22，分别与克LUM在溶液中和在固体状态值+ 2.2×10人-3 + 7.0×10和-3，分别。这是最高的固态CPL之一克LUM尚未报告的值。高Φ FL和克LUM值是由于刚性，以及这样的事实：（- [R ，- [R ，- [R ，- [R ，- [R ，- [R ，- [R ）- 3是一个非平面分子。此外，（R，R，R，R，R，R，R，R）-3在化学和立体化学上都是高度稳定的。