(9-(3,4-bis(decyloxy)phenyl)carbazole-2,7-diyl)dimethanol | 1236043-34-7

• 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: (9-(3,4-bis(decyloxy)phenyl)carbazole-2,7-diyl)dimethanol
• 英文别名: [9-(3,4-didecoxyphenyl)-7-(hydroxymethyl)carbazol-2-yl]methanol
• CAS: 1236043-34-7
• 化学式: C₄₀H₅₇NO₄
• 分子量: 615.897
• InChiKey: VKISODYZEHOMPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  45
• 可旋转键数：
  23
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  63.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (9-(3,4-bis(decyloxy)phenyl)carbazole-2,7-diyl)dimethanol 在 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以48%的产率得到9-(3,4-bis(decyloxy)phenyl)-2,7-bis(chloromethyl)carbazole
  参考文献：
  名称：

  Synthesis and characterization of poly(N-alkyloxyarylcarbazolyl-2,7-vinylene) derivatives and their applications in bulk-heterojunction solar cells

  摘要：

  The novel pi-conjugated polymers, poly(N-(3,4-bis(decyloxy) phenyl) carbazolyl-2,7-vinylene) (PCzV) and poly[N-(3,4-bis(decyloxy) phenyl) carbazolyl-2,7-vinylene)-co-{2-methoxy- 5-(2-ethylhexyloxy)-1,4-phenylenevinylene}] (PCzV-co-MEH-PPV) were synthesized by using the Gilch polymerization method and their photovoltaic properties were investigated. The newly designed and highly branched polymers, formed from PCzV and PCzV-co-MEH-PPV, are soluble in common organic solvents and easily spin-coated onto indium-tin oxide (ITO) coated glass substrates.The weight-average molecular weights (M(w)) and the polydispersity of the polymers were determined to be in the ranges of 3.86-7.9 x 10(4) and 1.60-2.05, respectively. Bulk-heterojunction solar cells, with ITO/PEDOT: PSS/polymer: PC(61)BM/TiO(x)/Al configurations, were fabricated. The solar cell based on PCzV-co-MEH-PPV: PC(61)BM (1:6 wt/wt) displays a higher photovoltaic performance as compared to that produced from PCzV: PC61BM (1: 6 wt/wt). The bulk-heterojunction solar cell with PCzV-co-MEH-PPV: PC61BM (1: 6 wt/wt) has a power conversion efficiency (PCE) of 2.31% (J(sc) = 6.43 mA/cm(2), V(oc) = 0.82 V, FF = 44%), measured using an AM 1.5 G solar simulator at 100 mW/cm(2) light illumination. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.orgel.2010.03.024
• 作为产物：
  描述：

  1,2-di(decyloxy)-4-iodobenzene 在 铜 、 potassium carbonate 、 红铝 、 sodium hydroxide 作用下， 以 乙醇 、 N,N-二甲基乙酰胺 、 苯 为溶剂， 反应 63.0h， 生成 (9-(3,4-bis(decyloxy)phenyl)carbazole-2,7-diyl)dimethanol
  参考文献：
  名称：

  Synthesis and characterization of poly(N-alkyloxyarylcarbazolyl-2,7-vinylene) derivatives and their applications in bulk-heterojunction solar cells

  摘要：

  The novel pi-conjugated polymers, poly(N-(3,4-bis(decyloxy) phenyl) carbazolyl-2,7-vinylene) (PCzV) and poly[N-(3,4-bis(decyloxy) phenyl) carbazolyl-2,7-vinylene)-co-{2-methoxy- 5-(2-ethylhexyloxy)-1,4-phenylenevinylene}] (PCzV-co-MEH-PPV) were synthesized by using the Gilch polymerization method and their photovoltaic properties were investigated. The newly designed and highly branched polymers, formed from PCzV and PCzV-co-MEH-PPV, are soluble in common organic solvents and easily spin-coated onto indium-tin oxide (ITO) coated glass substrates.The weight-average molecular weights (M(w)) and the polydispersity of the polymers were determined to be in the ranges of 3.86-7.9 x 10(4) and 1.60-2.05, respectively. Bulk-heterojunction solar cells, with ITO/PEDOT: PSS/polymer: PC(61)BM/TiO(x)/Al configurations, were fabricated. The solar cell based on PCzV-co-MEH-PPV: PC(61)BM (1:6 wt/wt) displays a higher photovoltaic performance as compared to that produced from PCzV: PC61BM (1: 6 wt/wt). The bulk-heterojunction solar cell with PCzV-co-MEH-PPV: PC61BM (1: 6 wt/wt) has a power conversion efficiency (PCE) of 2.31% (J(sc) = 6.43 mA/cm(2), V(oc) = 0.82 V, FF = 44%), measured using an AM 1.5 G solar simulator at 100 mW/cm(2) light illumination. (C) 2010 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.orgel.2010.03.024