tris[[4-[3,3'-dihexylsilylene-2,2'-bithiophene]-7-[5''-n-hexyl-(2,2';5',2''-terthiophene)-5-yl]benzo[c]-[1,2,5]thiadiazole]-2,6,10-yl]-4,4,8,8,12,12-hexamethyl-4H,8H,12H-benzo[1,9]quinolizino[3,4,5,6,7-defg]acridine | 1415591-30-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tris[[4-[3,3'-dihexylsilylene-2,2'-bithiophene]-7-[5''-n-hexyl-(2,2';5',2''-terthiophene)-5-yl]benzo[c]-[1,2,5]thiadiazole]-2,6,10-yl]-4,4,8,8,12,12-hexamethyl-4H,8H,12H-benzo[1,9]quinolizino[3,4,5,6,7-defg]acridine
• 英文别名: 4-[10-[11,17-Bis[7,7-dihexyl-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-7,7-dihexyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole；4-[10-[11,17-bis[7,7-dihexyl-10-[7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazol-4-yl]-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-7,7-dihexyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-7-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
• CAS: 1415591-30-8
• 化学式: C₁₅₉H₁₇₁N₇S₁₈Si₃
• 分子量: 2841.6
• InChiKey: AJZDBCIWQWULQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  53.5
• 重原子数：
  187
• 可旋转键数：
  60
• 环数：
  30.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  507
• 氢给体数：
  0
• 氢受体数：
  25

反应信息

• 作为产物：
  描述：

  4-[3,3'-dihexylsilylene-2,2'-bithiophene]-7-[5′′-n-hexyl-(2,2′;5′,2′′-terthiophene)-5-yl]benzo[c][1,2,5]thiadiazole 、 2,6,10-tris(trimethylstannyl)-4,4,8,8,12,12-hexamethyl-4H,8H,12H-benzo[1,9]quinolizino[3,4,5,6,7,-defg]acridine 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 48.0h， 生成 tris[[4-[3,3'-dihexylsilylene-2,2'-bithiophene]-7-[5''-n-hexyl-(2,2';5',2''-terthiophene)-5-yl]benzo[c]-[1,2,5]thiadiazole]-2,6,10-yl]-4,4,8,8,12,12-hexamethyl-4H,8H,12H-benzo[1,9]quinolizino[3,4,5,6,7-defg]acridine
  参考文献：
  名称：

  Planar Star-Shaped Organic Semiconductor with Fused Triphenylamine Core for Solution-Processed Small-Molecule Organic Solar Cells and Field-Effect Transistors

  摘要：

  The symmetrical planar star-shaped organic semiconductor DMM-TPA-[DTS(BTTh3)](3) with fused TPA core donor and three branch motifs, DTS(BTTh3), exhibited efficient p-type semiconducting performance in solution-processed SMOSCs and OFETs compared to the tilted star-shaped TPA-[DTS(BTTh3)](3); a noteworthy PCE value of 4.16% was observed, with a hole mobility and on/off ratio of 7.6 x 10(-3) cm(2) V-1 s(-1) and 5 x 10(6), respectively.

  DOI：

  10.1021/ol303045p

文献信息

• Perovskite Solar Cells with 12.8% Efficiency by Using Conjugated Quinolizino Acridine Based Hole Transporting Material
  作者：Peng Qin、Sanghyun Paek、M. Ibrahim Dar、Norman Pellet、Jaejung Ko、Michael Grätzel、Mohammad Khaja Nazeeruddin

  DOI：10.1021/ja503272q

  日期：2014.6.18

  A low band gap quinolizino acridine based molecule was designed and synthesized as new hole transporting material for organic-inorganic hybrid lead halide perovskite solar cells. The functionalized quinolizino acridine compound showed an effective hole mobility in the same range of the state-of-the-art spiro-MeOTAD and an appropriate oxidation potential of 5.23 eV vs the vacuum level. The device based

  设计并合成了一种低带隙喹啉吖啶基分子，作为有机-无机杂化卤化铅钙钛矿太阳能电池的新型空穴传输材料。功能化的喹啉基吖啶化合物显示出与最先进的螺-MeOTAD 相同范围内的有效空穴迁移率和相对于真空水平的 5.23 eV 的适当氧化电位。基于这种新型空穴传输材料的器件在 98.8 mW cm(-2) 的光照下实现了 12.8% 的高功率转换效率，在相同条件下优于众所周知的螺-MeOTAD。此外，这种分子可以在没有任何添加剂的情况下单独工作，从而使其成为固态光伏应用的有希望的候选者。
• Hole transporting and light absorbing material for solid state solar cells
  申请人：ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL)

  公开号：EP2896660A1

  公开（公告）日：2015-07-22

  The present invention relates to a compound of formula (I) based on quinozilino acridine and used as hole transporting and light absorbing material in a photovoltaic device, in particular in a solid state solar cell.

  本发明涉及一种基于喹唑啉并吖啶的化合物(I)，用作光伏器件中的空穴传输和吸光材料，特别是用于固态太阳能电池。
• [EN] HOLE TRANSPORTING AND LIGHT ABSORBING MATERIAL FOR SOLID STATE SOLAR CELLS<br/>[FR] MATÉRIAU DE TRANSPORT DE TROUS ET D'ABSORPTION DE LUMIÈRE POUR CELLULES SOLAIRES À SEMI-CONDUCTEURS
  申请人：ECOLE POLYTECH

  公开号：WO2015107454A1

  公开（公告）日：2015-07-23

  The present invention relates to a compound of formula (I) based on quinozilino acridine and used as hole transporting and light absorbing material in a photovoltaic device, in particular in a solid state solar cell. (I)

  本发明涉及一种基于喹唑啉并蒽的化合物（I）, 用作光伏器件中的空穴传输和光吸收材料，特别是用于固态太阳能电池。 (I)