2,3,6,7,10,11-六苯基三亚苯 | 836671-27-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 中文名称: 2,3,6,7,10,11-六苯基三亚苯
• 英文名称: 2,3,6,7,10,11-hexaphenyltriphenylene
• 英文别名: 2,3,6,7,10,11-hexakis-phenyltriphenylene
• CAS: 836671-27-3
• 化学式: C₅₄H₃₆
• 分子量: 684.88
• InChiKey: RSWOJEDGRFCGFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.6
• 重原子数：
  54
• 可旋转键数：
  6
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  二苯基乙炔 、 2,4,6-tris(phenylethynyl)benzene-1,3,5-tricarbaldehyde 在 copper(II) bis(trifluoromethanesulfonate) 、 三氟乙酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 8.0h， 以25%的产率得到2,3,6,7,10,11-六苯基三亚苯
  参考文献：
  名称：

  A Trefoil Macrocycle Synthesized by 3-Fold Benzannulation

  摘要：

  A new trefoil-shaped molecular architecture consisting of three conjugated macrocycles was synthesized through an unprecedented 3-fold copper catalyzed [4 + 2] benzannulation. DFT calculations indicate that the most stable conformation of this trefoil macrocycle is D-3-symmetric. In agreement with the calculated results, the trefoil macrocycle in single crystals exists as a pair of enantiomers with D-3-symmetry and exhibits interesting honeycomb-like supramolecular structures.

  DOI：

  10.1021/acs.orglett.8b03099

文献信息

• Synthesis and structure of <i>trans</i>-bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride and diacetate. Suzuki–Miyaura coupling of polybromoarenes with high catalytic turnover efficiencies
  作者：Jeelani Basha Shaik、Venkatachalam Ramkumar、Babu Varghese、Sethuraman Sankararaman

  DOI：10.3762/bjoc.9.79

  日期：——

  trans-Bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride has been shown to be an excellent catalyst for the multiple Suzuki–Miyaura coupling reactions of polybromoarenes to the corresponding fully substituted polyarylarenes. The reactions proceeded in excellent yields and with high turnover numbers. With 1,4-dibromobenzene the catalyst was found to be active for up to 13 consecutive cycles with a turnover number of 1260. The polyarylarenes were obtained in pure form after crystallization once without recourse to chromatographic purification. The single-crystal X-ray structures of the chloro (1) as well as the corresponding acetato (2) complexes are also reported and compared with the corresponding complexes of 1,4-diphenyl-3-methyl-1,2,3-triazol-5-ylidene as the ligand.

  trans-Bis(1,4-二间苯基-3-甲基-1,2,3-三唑-5-基)钯(II)二氯化物已被证明是多溴芳烃与相应全取代聚芳基芳烃的Suzuki–Miyaura偶联反应的优秀催化剂。反应产率高，转化数也高。对于1,4-二溴苯，该催化剂在连续循环中活性可达13次，转化数为1260。聚芳基芳烃在晶化一次后以纯形式获得，无需色谱纯化。氯化物(1)以及相应的乙酸盐(2)配合物的单晶X射线结构也已报道，并与作为配体的1,4-二苯基-3-甲基-1,2,3-三唑-5-基的相应配合物进行了比较。
• Materials and structures for enhancing the performance of organic light emitting devices
  申请人：Thompson E. Mark

  公开号：US20050025993A1

  公开（公告）日：2005-02-03

  A device is provided, having an anode, a cathode, and a first organic layer disposed between the anode and the cathode. The first organic layer comprises a material that produces phosphorescent emission when a voltage is applied between the anode and the cathode. A second organic layer is disposed between the first organic layer and the cathode. The second organic layer is in direct contact with the first organic layer. The second organic layer may comprise an aromatic hydrocarbon material, comprising an aromatic non-heterocyclic hydrocarbon core optionally substituted, and wherein the substituents are the same or different, and each is selected from the group consisting of alkyl, alkenyl, alkynyl, aryl, heteroalkyl, substituted aryl, substituted heteroaryl and heterocyclic groups. The second organic layer may comprise a material having a molecular dipole moment less than about 2.0 debyes, such that the device has an unmodified external quantum efficiency of at least about 3% and a lifetime of at least about 1000 hours at an initial luminance of about 100 to about 1000 cd/m 2 . The second organic layer may be in direct contact with the cathode, or there may be a separate organic layer between the second organic layer and the cathode.

  提供了一种装置，其具有阳极、阴极和第一有机层，该第一有机层位于阳极和阴极之间。第一有机层包括一种材料，在阳极和阴极之间施加电压时产生磷光发射。第二有机层位于第一有机层和阴极之间，与第一有机层直接接触。第二有机层可以包括芳香族碳氢化合物材料，包括一个芳香族非杂环碳氢核心，可选地取代，其中取代基相同或不同，每个取代基从由烷基、烯基、炔基、芳基、杂原子烷基、取代芳基、取代杂原子芳基和杂环基组成的群中选择。第二有机层可以包括具有分子偶极矩小于约2.0德拜的材料，使得该装置具有至少约3％的未修改外部量子效率和初始亮度约为100到约1000 cd / m2的寿命至少约1000小时。第二有机层可以直接接触阴极，或第二有机层和阴极之间可以有单独的有机层。
• MATERIALS AND STRUCTURES FOR ENHANCING THE PERFORMANCE OF ORGANIC LIGHT EMITTING DEVICES
  申请人：Thompson Mark E.

  公开号：US20120133276A1

  公开（公告）日：2012-05-31

  A device is provided, having an anode, a cathode, and two adjacent organic layers disposed between the anode and the cathode. One organic layer is a phosphorescent emissive material. The other organic layer may comprise an aromatic hydrocarbon material, comprising an aromatic non-heterocyclic hydrocarbon core optionally substituted, and wherein the substituents are the same or different, and each is selected from the group consisting of alkyl, alkenyl, alkynyl, aryl, heteroalkyl, substituted aryl, substituted heteroaryl and heterocyclic groups. The second organic layer may comprise a material having a molecular dipole moment less than about 2.0 debyes, such that the device has an unmodified external quantum efficiency of at least about 3% and a lifetime of at least about 1000 hours at an initial luminance of about 100 to about 1000 cd/m 2 .

  提供了一种装置，该装置具有阳极、阴极和两个相邻的有机层，这些有机层位于阳极和阴极之间。其中一个有机层是磷光发射材料。另一个有机层可以包括芳香族碳氢化合物材料，包括一个芳香族非杂环碳氢化合物核心，可选地被取代，其中取代基相同或不同，且每个取代基选自由烷基、烯基、炔基、芳基、杂原子烷基、取代芳基、取代杂芳基和杂环基的群。第二个有机层可以包括分子偶极矩小于约2.0德拜的材料，使得该装置具有至少约3％的未修改外部量子效率和在约100到约1000 cd/m2的初始亮度下至少约1000小时的寿命。
• A Trefoil Macrocycle Synthesized by 3-Fold Benzannulation
  作者：Xuejin Yang、Luyan Yuan、Ziyi Chen、Zhifeng Liu、Qian Miao

  DOI：10.1021/acs.orglett.8b03099

  日期：2018.11.2

  A new trefoil-shaped molecular architecture consisting of three conjugated macrocycles was synthesized through an unprecedented 3-fold copper catalyzed [4 + 2] benzannulation. DFT calculations indicate that the most stable conformation of this trefoil macrocycle is D-3-symmetric. In agreement with the calculated results, the trefoil macrocycle in single crystals exists as a pair of enantiomers with D-3-symmetry and exhibits interesting honeycomb-like supramolecular structures.