Octacyclo[30.2.2.22,5.26,9.210,13.214,17.218,21.222,25]octatetraconta-1(34),2(48),3,5(47),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18(40),19,21(39),22,24,32,35,37-henicosaene | 1509962-49-5

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: Octacyclo[30.2.2.22,5.26,9.210,13.214,17.218,21.222,25]octatetraconta-1(34),2(48),3,5(47),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18(40),19,21(39),22,24,32,35,37-henicosaene
• 英文别名: octacyclo[30.2.2.22,5.26,9.210,13.214,17.218,21.222,25]octatetraconta-1(34),2(48),3,5(47),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18(40),19,21(39),22,24,32,35,37-henicosaene
• CAS: 1509962-49-5
• 化学式: C₄₈H₄₀
• 分子量: 616.846
• InChiKey: WNJZEUKAFWHTNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  48
• 可旋转键数：
  0
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1-溴-4-[6-(4-溴苯基)己基]苯 在 2-双环己基膦-2',6'-二甲氧基联苯 、 potassium phosphate 、 正丁基锂 、 palladium diacetate 、 sodium naphthalenide 作用下， 以 四氢呋喃 、 正己烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 Octacyclo[30.2.2.22,5.26,9.210,13.214,17.218,21.222,25]octatetraconta-1(34),2(48),3,5(47),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18(40),19,21(39),22,24,32,35,37-henicosaene
  参考文献：
  名称：

  The Effects of Cyclic Conjugation and Bending on the Optoelectronic Properties of Paraphenylenes

  摘要：

  Cycloparaphenylenes (CPPs) have optoelectronic properties that are unique when compared to their acyclic oligoparaphenylene counterparts. The synthesis and characterization of two bent heptaphenyl-containing macrocycles has been achieved in order to probe the effects of bending and cyclic conjugation on the properties of the CPPs. The study suggests that both bending and cyclic conjugation play a role in the novel properties of the CPPs.

  DOI：

  10.1021/ol403168x

文献信息

• The Effects of Cyclic Conjugation and Bending on the Optoelectronic Properties of Paraphenylenes
  作者：Penghao Li、Thomas J. Sisto、Evan R. Darzi、Ramesh Jasti

  DOI：10.1021/ol403168x

  日期：2014.1.3

  Cycloparaphenylenes (CPPs) have optoelectronic properties that are unique when compared to their acyclic oligoparaphenylene counterparts. The synthesis and characterization of two bent heptaphenyl-containing macrocycles has been achieved in order to probe the effects of bending and cyclic conjugation on the properties of the CPPs. The study suggests that both bending and cyclic conjugation play a role in the novel properties of the CPPs.