8,8,16,16,24,24-Hexakis-phenyl-4,12,20-trithiaheptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),5,9,11(15),13,17,19(23),21-nonaene | 1315509-86-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 8,8,16,16,24,24-Hexakis-phenyl-4,12,20-trithiaheptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),5,9,11(15),13,17,19(23),21-nonaene
• 英文别名: 8,8,16,16,24,24-hexakis-phenyl-4,12,20-trithiaheptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),5,9,11(15),13,17,19(23),21-nonaene
• CAS: 1315509-86-4
• 化学式: C₅₇H₃₆S₃
• 分子量: 817.111
• InChiKey: DKLUBEWRVJYANS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.3
• 重原子数：
  60
• 可旋转键数：
  6
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8,8,16,16,24,24-Hexakis-phenyl-4,12,20-trithiaheptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),5,9,11(15),13,17,19(23),21-nonaene 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Properties of Novel C₃-Symmetric Coplanar Chromophores

  摘要：

  New synthetic pathways for novel C-3-symmetric molecules featured with a thlophene-fused six-five-five carbon-bridged coplanar core structure have been established. The incorporation of thiophene as the constituent of a C-3-symmetric core provides effective modulation of the physical properties and imparts extra flexibility for pi-conjugated functionalization stemming from either the embedded thiophene or pendant aryl substitutions.

  DOI：

  10.1021/ol201466z
• 作为产物：
  描述：

  [8,8,16,16,24,24-Hexakis-phenyl-13,21-bis[tri(propan-2-yl)silyl]-4,12,20-trithiaheptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),5,9,11(15),13,17,19(23),21-nonaen-5-yl]-tri(propan-2-yl)silane 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以90%的产率得到8,8,16,16,24,24-Hexakis-phenyl-4,12,20-trithiaheptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),5,9,11(15),13,17,19(23),21-nonaene
  参考文献：
  名称：

  Synthesis and Properties of Novel C₃-Symmetric Coplanar Chromophores

  摘要：

  New synthetic pathways for novel C-3-symmetric molecules featured with a thlophene-fused six-five-five carbon-bridged coplanar core structure have been established. The incorporation of thiophene as the constituent of a C-3-symmetric core provides effective modulation of the physical properties and imparts extra flexibility for pi-conjugated functionalization stemming from either the embedded thiophene or pendant aryl substitutions.

  DOI：

  10.1021/ol201466z

文献信息

• Synthesis and Properties of Novel <i>C</i>₃-Symmetric Coplanar Chromophores
  作者：Jia-Hong Chen、Shao-An Wang、Yi-Hung Liu、Ken-Tsung Wong

  DOI：10.1021/ol201466z

  日期：2011.8.19

  New synthetic pathways for novel C-3-symmetric molecules featured with a thlophene-fused six-five-five carbon-bridged coplanar core structure have been established. The incorporation of thiophene as the constituent of a C-3-symmetric core provides effective modulation of the physical properties and imparts extra flexibility for pi-conjugated functionalization stemming from either the embedded thiophene or pendant aryl substitutions.