二苯基(4-苯乙烯基苯基)胺 | 89114-74-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 二苯基(4-苯乙烯基苯基)胺
• 中文别名: 4-苯乙烯基三苯胺
• 英文名称: 4-styryl-triphenylamine
• 英文别名: 4-diphenylamino stilbene；4-N,N-diphenylaminostilbene；N,N-Diphenyl-4-(2-phenylethenyl)aniline
• CAS: 89114-74-9
• 化学式: C₂₆H₂₁N
• 分子量: 347.459
• InChiKey: DXYYLUGHPCHMRQ-UHFFFAOYSA-N

物化性质

• 熔点：
  151.0 to 155.0 °C
• 沸点：
  510.3±30.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲苯
• 最大波长(λmax)：
  366nm(CH2Cl2)(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  三苯胺 在 sodium methylate 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 生成 二苯基(4-苯乙烯基苯基)胺
  参考文献：
  名称：

  Pure Branch Effect on the Optical Properties of Novel Conjugated Derivatives

  摘要：

  介绍了纯合作枝对共轭衍生物单光子和双光子光学性质的影响。AM1 计算表明，衍生物前沿轨道的电子密度分布和偶极矩变化与分支数量有关。理论结果表明，不仅前沿轨道的能级会受到分支数量的影响，而且 HOMO-LUMO 间隙也会受到调节。

  DOI：

  10.1246/cl.2010.582

文献信息

• A Comprehensive Investigation on the Cooperative Branch Effect on the Optical Properties of Novel Conjugated Compounds
  作者：Long Yang、Fang Gao、Jian Liu、Xiaolin Zhong、Hongru Li、Shengtao Zhang

  DOI：10.1007/s10895-010-0741-y

  日期：2011.3

  This paper presents a variety of conjugated derivatives with different number of arms (4-styryl-triphenylamine: C1, 4, 4′-di-styryltriphenylamine: C2, 4, 4′, 4″-tri-styryltriphenylamine: C3). The linear absorption and fluorescence maxima and the molar extinction coefficients are in the order of C1

  本文介绍了多种具有不同臂数的共轭衍生物（4-苯乙烯基三苯胺：C1；4，4′-二苯乙烯基三苯胺：C2；4，4′-二苯乙烯基三苯胺：C3；4，4′-二苯乙烯基三苯胺：C4）：C1，4，4′-二苯乙烯基三苯胺：C2，4，4′，4″-三苯乙烯三苯胺：C3).其线性吸收和荧光最大值以及摩尔消光系数依次为 C1、C2、C3、C4、C4′、C4′、C4″-三苯乙烯三苯胺。
• Pure Branch Effect on the Optical Properties of Novel Conjugated Derivatives
  作者：Long Yang、Fang Gao、Jian Liu、Xiaolin Zhong、Hongru Li、Shengtao Zhang

  DOI：10.1246/cl.2010.582

  日期：2010.6.5

  Pure cooperative branch effects on one- and two-photon optical properties of conjugated derivatives are presented. AM1 calculations demonstrate that the electron density distribution of the frontier orbital and the dipole moment changes of the derivatives are related to the number of branches. The theoretical results show that not only the energy level of the frontier orbital could be mediated by the number of branches, but the HOMO–LUMO gap could be regulated.

  介绍了纯合作枝对共轭衍生物单光子和双光子光学性质的影响。AM1 计算表明，衍生物前沿轨道的电子密度分布和偶极矩变化与分支数量有关。理论结果表明，不仅前沿轨道的能级会受到分支数量的影响，而且 HOMO-LUMO 间隙也会受到调节。
• Electrophotographic photoconductor containing stilbene compound
  申请人：Ricoh Company, Ltd.

  公开号：US04859556A1

  公开（公告）日：1989-08-22

  An electrophotographic photoconductor is disclosed which comprises an electroconductive support material and a photosensitive layer comprising at least one of the stilbene compounds of the formula ##STR1## wherein R.sup.1 represents hydrogen or ##STR2## R.sup.2 represents hydrogen, an alkyl group or a substituted or unsubstituted phenyl group; A represents ##STR3## when R.sup.1 is hydrogen; while, when R.sup.1 is ##STR4## A represents ##STR5## a 9-anthryl group or a substituted or unsubstituted N-alkylcarbazolyl group, wherein R.sup.3 represents hydrogen, an alkyl group, an alkoxy group, a halogen or a substituted amino group represented by ##STR6## in which R.sup.4 and R.sup.5 independently represent an alkyl group, a substituted or unsubstituted aryl group, or a substituted or unsubstituted aralkyl group, and R.sup.4 and R.sup.5 may form a ring in combination, and m is an integer of 0 through 3 and n is an integer of 0 or 1, provided that, when R.sup.1 is hydrogen and n=0, A is ##STR7## in which R.sup.6 is hydrogen, an alkyl group, an alkoxy group or a halogen, and R.sup.4 and R.sup.5 are the same as defined above.

  公开了一种电子照相光导体，它包括一个电导支撑材料和一个光敏层，该光敏层包括以下至少一种化合物：式中R1代表氢或；R2代表氢、烷基或取代或未取代的苯基；A代表当R1为氢时为；而当R1为时，A代表、9-蒽基或取代或未取代的N-烷基咔唑基，其中R3代表氢、烷基、烷氧基、卤素或由表示的取代氨基组成，其中R4和R5独立地代表烷基、取代或未取代的芳基或取代或未取代的芳基烷基；R4和R5可以组合成环；m为0到3的整数，n为0或1的整数，但当R1为氢且n=0时，A为，其中R6代表氢、烷基、烷氧基或卤素，而R4和R5与上述定义相同。
• Synthesis and characterization of triphenylamine modified azobenzene dyes
  作者：Chuanwu Zhao、Tianyang Wang、Dongmei Li、Ting Lu、Dongzhi Liu、Qingbo Meng、Qianqian Zhang、Fengqing Li、Wei Li、Wenping Hu、Lichang Wang、Xueqin Zhou

  DOI：10.1016/j.dyepig.2016.10.018

  日期：2017.2

  A series of triphenylamine modified azobenzenes were synthesized and studied theoretically and experimentally. D-A-D structures of these dyes were revealed with an intramolecular charge transfer (ICT) from both triphenylamine or indoline units (donor) to the central azobenzene unit (acceptor). Both computational and experimental results indicate that a stronger electron donating ability of the donor enhances the degree of ICT and improve their HOMO energies. The absorption spectra indicate an increased light absorption by enhanced ICT effect. The intermolecular interaction also affects their absorption ability. The strongest intermolecular interaction results in the best light absorption ability in films. An obviously increased hole mobility was also found as the ICT was-enhanced. These dyes were used as hole transport materials (HTM) of perovskite solar cells to investigate their feasibility. It is revealed that the solubility and filming ability are significant for the photovoltaic performance of devices. (C) 2016 Elsevier Ltd. All rights reserved.
• White light emission in water through admixtures of donor–π–acceptor siblings: experiment and simulation
  作者：Beena Kumari、Amit Singh、Palash Jana、Mithun Radhakrishna、Sriram Kanvah

  DOI：10.1039/c9nj02389e

  日期：——

  stilbenes in acetonitrile and water gave white light emission. MD simulations of the admixtures reveal that the emission data directly correlate to the structural arrangements of the molecules driven by intermolecular and solvent interactions with micelle-like structural arrangements for one set and uniform homogenous mixing for the other two sets. Such a tunable emission strategy using simple structural

  合成了具有三苯胺供体和具有双键间隔基的不同受体（H，氰基和吡啶鎓）单元的供体-受体π共轭分子。这些化合物随着受体强度的增加，吸收和发射发生红移。水中的溶剂变色测量揭示了发射态，其特征是具有从蓝色到红色的三个不同发射光谱区域的极性性质。有趣的是，斯蒂苯酯在乙腈和水中的二元混合物发出白光。混合物的MD模拟表明，发射数据与分子间和溶剂相互作用驱动的分子的结构排列与一组的胶束状结构排列直接相关，而对另外两组的均匀混合均匀。