1,3,5-tris(4'-cyanobiphenyl-4-yl)benzene

• 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: 1,3,5-tris(4'-cyanobiphenyl-4-yl)benzene
• 英文别名: 1,3,5-tris(4-biphenyl-4'-carbonitrile)benzene；5''-(4'-Cyano-[1,1'-biphenyl]-4-yl)-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarbonitrile；4-[4-[3,5-bis[4-(4-cyanophenyl)phenyl]phenyl]phenyl]benzonitrile
• 化学式: C₄₅H₂₇N₃
• 分子量: 609.729
• InChiKey: OXAPIOTUUHMVCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  48
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-乙酰基-4-溴代联苯 在 N-methyl-2-pyrrolidine 、 三氟甲磺酸 作用下， 以 甲苯 为溶剂， 反应 18.33h， 生成 1,3,5-tris(4'-cyanobiphenyl-4-yl)benzene
  参考文献：
  名称：

  Pure Deep Blue Light-Emitting Diodes from Alternating Fluorene/Carbazole Copolymers by Using Suitable Hole-Blocking Materials

  摘要：

  The influences of the carbazole content on the photophysical, electrochemical, and electroluminescent properties of alternating fluorene/carbazole copolymers PFnCz (n = 1, 2, 3) with well-defined chemical structures have been systematically investigated. The incorporation of carbazole units into the polyfluorene (PF) backbone resulted in a blue shift of both the absorption and photoluminescence (PL) emission peaks, improved PL thermal stability, raised HOMO energy levels, and thus facilitated hole injection into the copolymers. Pure deep blue electroluminescence (EL) with narrow fwhms (full width at the half-maximum) (39-52 nm) and negligible low-energy emission bands was successfully achieved from the PFnCz copolymers by using 1,3,5-tris(4'-fluorobiphenyl-4-yl)benzene (F-TBB) as a hole-blocking layer and Alq(3) as an electron injection/transporting layer. This device configuration stabilized the blue emission from the PF derivatives. An efficiency of 0.72 cd/A at a luminance of 100 cd/m(2) was obtained even with aluminum metal as the cathode.

  DOI：

  10.1021/ma030535n

文献信息

• Control of Intermolecular Bonds by Deposition Rates at Room Temperature: Hydrogen Bonds versus Metal Coordination in Trinitrile Monolayers
  作者：Thomas Sirtl、Stefan Schlögl、Atena Rastgoo-Lahrood、Jelena Jelic、Subhadip Neogi、Michael Schmittel、Wolfgang M. Heckl、Karsten Reuter、Markus Lackinger

  DOI：10.1021/ja306834a

  日期：2013.1.16

  the adatom gas of the Cu(111) surface. On Ag(111), however, the well-ordered metal-coordinated network was not observed. Differences between the adatom reactivities on copper and silver and the resulting bond strengths of the respective coordination bonds are held responsible for this substrate dependence. By utilizing ultralow deposition rates, we demonstrate that on Cu(111) the adatom kinetics plays

  铜和银上的吸附原子反应性和相应配位键的所得键强度之间的差异是造成这种底物依赖性的原因。通过利用超低沉积速率，我们证明了在 Cu(111) 上吸附原子动力学在分子间键的表达和结构选择中起着决定性的作用。