4-[p-[N-(4-(9-carbazole))butyl-N-phenyl]aniline]-6-phenyl-2,2'-bipyridine | 1236350-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4-[p-[N-(4-(9-carbazole))butyl-N-phenyl]aniline]-6-phenyl-2,2'-bipyridine
• 英文别名: 4-(p-[N-(4-(9-carbazole)butyl)-N-phenyl]amino)-6-phenyl-2,2'-bipyridine；N-(4-carbazol-9-ylbutyl)-N-phenyl-4-(2-phenyl-6-pyridin-2-ylpyridin-4-yl)aniline
• CAS: 1236350-50-7
• 化学式: C₄₄H₃₆N₄
• 分子量: 620.797
• InChiKey: HGAVHKQFHPIREN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  48
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  34
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  potassium tetrachloroplatinate(II) 、 4-[p-[N-(4-(9-carbazole))butyl-N-phenyl]aniline]-6-phenyl-2,2'-bipyridine 以 溶剂黄146 为溶剂， 以82.4%的产率得到(4-[p-[N-(4-(9-carbazole))butyl-N-phenyl]aniline]-6-phenyl-2,2'-bipyridine)chloridoplatinum(II)
  参考文献：
  名称：

  具有多功能环金属化配体的新型 Pt(II) 配合物的合成、晶体结构和光物理性质

  摘要：

  一种新型 Pt(II) 配合物 [(L)PtCl] (HL = 4-{4p-[N-(4-(9-carbazole))butyl-N-phenyl] aniline}-6-phenyl-2,2' -联吡啶）已合成并通过 H-1 NMR、元素分析和 X 射线晶体学验证。该晶体（C44H35N4ClPt，Mr = 850.30）属于单斜晶系，空间群P2（1）/c，a = 21.864（6），b = 9.306（3），c = 17.240（5）埃，β = 96.483（ 6)度，Z = 4，V = 3485.3(16)埃(3)，DC = 1.620 g/cm(3)，mu(Mo-K alpha) = 4.141 mm(-1)，F(000) = 1688 , R-1 = 0.0591, wR(2) = 0.0976。Pt 原子的坐标几何是一个扭曲的方形平面配置。复杂的分子通过弱的 pi-pi 相互作用以头对尾的方式沿着

  DOI：

  10.1016/j.inoche.2010.02.016
• 作为产物：
  描述：

  9-(4-溴丁基)-9H-咔唑 、 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 1.0h， 以1.7 g的产率得到4-[p-[N-(4-(9-carbazole))butyl-N-phenyl]aniline]-6-phenyl-2,2'-bipyridine
  参考文献：
  名称：

  具有多功能环金属化配体的新型 Pt(II) 配合物的合成、晶体结构和光物理性质

  摘要：

  一种新型 Pt(II) 配合物 [(L)PtCl] (HL = 4-{4p-[N-(4-(9-carbazole))butyl-N-phenyl] aniline}-6-phenyl-2,2' -联吡啶）已合成并通过 H-1 NMR、元素分析和 X 射线晶体学验证。该晶体（C44H35N4ClPt，Mr = 850.30）属于单斜晶系，空间群P2（1）/c，a = 21.864（6），b = 9.306（3），c = 17.240（5）埃，β = 96.483（ 6)度，Z = 4，V = 3485.3(16)埃(3)，DC = 1.620 g/cm(3)，mu(Mo-K alpha) = 4.141 mm(-1)，F(000) = 1688 , R-1 = 0.0591, wR(2) = 0.0976。Pt 原子的坐标几何是一个扭曲的方形平面配置。复杂的分子通过弱的 pi-pi 相互作用以头对尾的方式沿着

  DOI：

  10.1016/j.inoche.2010.02.016

文献信息

• Synthesis, crystal structure and photophysical properties of a novel Pt(II) complex with multi-functionalized cyclometalating ligand
  作者：Dongfang Qiu、Yuquan Feng、Hongwei Wang、Xiaoyu Bao、Yingchen Guo、Yanxiang Cheng、Lixiang Wang

  DOI：10.1016/j.inoche.2010.02.016

  日期：2010.5

  A novel Pt(II) complex [(L)PtCl] (HL = 4-4p-[N-(4-(9-carbazole))butyl-N-phenyl] aniline}-6-phenyl-2,2'-bipyridine) has been synthesized and verified by H-1 NMR, elemental analysis and X-ray crystallography. The crystal (C44H35N4ClPt, M-r = 850.30) belongs to monoclinic system, space group P2(1)/c, with a = 21.864(6), b = 9.306 (3), c = 17.240(5) angstrom, beta = 96.483(6)degrees, Z = 4, V = 3485.3(16)

  一种新型 Pt(II) 配合物 [(L)PtCl] (HL = 4-4p-[N-(4-(9-carbazole))butyl-N-phenyl] aniline}-6-phenyl-2,2' -联吡啶）已合成并通过 H-1 NMR、元素分析和 X 射线晶体学验证。该晶体（C44H35N4ClPt，Mr = 850.30）属于单斜晶系，空间群P2（1）/c，a = 21.864（6），b = 9.306（3），c = 17.240（5）埃，β = 96.483（ 6)度，Z = 4，V = 3485.3(16)埃(3)，DC = 1.620 g/cm(3)，mu(Mo-K alpha) = 4.141 mm(-1)，F(000) = 1688 , R-1 = 0.0591, wR(2) = 0.0976。Pt 原子的坐标几何是一个扭曲的方形平面配置。复杂的分子通过弱的 pi-pi 相互作用以头对尾的方式沿着
• Electrochromic films with high optical contrast prepared by oxidative electropolymerization of a novel multi-functionalized cyclometalating ligand and its neutral-charged Pt(II) complexes
  作者：Dongfang Qiu、Xiaoyu Bao、Yuquan Feng、Kecheng Liu、Hongwei Wang、Hengzhen Shi、Yingchen Guo、Qunzeng Huang、Junliang Zeng、Jing Zhou、Zuochao Xing

  DOI：10.1016/j.electacta.2011.11.083

  日期：2012.1

  A novel multi-functionalized cyclometalating ligand (HL) and its two neutral-charged Pt(II) complexes, i.e., [(L)PtCl] (C1) and [(L)Pt(C equivalent to CC6H5)] (C2) (HL=4-p-[N-(4-(9-carbazole))butyl-N-phenyl]anilino}-6-phenyl-2,2'-bipyridine), have been successfully synthesized and verified by H-1 NMR, C-13 NMR, elemental analysis and/or X-ray crystallography. The introduction of the electron-donating arylamino unit at the 4-position of the electron-withdrawing 6-phenyl-2,2'-bipyridine ligand forms the D-A system, resulting in the enhanced (MLCT)-M-1 bands in the absorption spectra and intense orange emissions in the PL spectra of C1 and C2. The carbazole units grafted through alkyl chain in HL, C1 and C2 electrochemically trigger the efficient cross-linking reaction to form polymer films, which have been characterized by AC impedance, SEM and spectroelectrochemistry. Each of the poly-HL and poly-C1 films exhibits reversible oxidation with significant color change having a high contrast ratio (81.8% for poly-HL film and 67.3% for poly-C1 film), a reasonable coloration response time (6.3 s for poly-HL film and 3.1 s for poly-C1 film) and a comparable coloration efficiency (158C(-1) cm(2) for poly-HL film and 132C(-1) cm(2) for poly-C1 film) that can be switched by modulation of the applied potential. (C) 2011 Elsevier Ltd. All rights reserved.