2,2'-((5,5'-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis(thiophene-5,2-diyl))bis(methanylylidene))bis(1H-indene-1,3(2H)-dione) | 1445721-12-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2,2'-((5,5'-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis(thiophene-5,2-diyl))bis(methanylylidene))bis(1H-indene-1,3(2H)-dione)
• 英文别名: 2-[[5-[7-[5-[(1,3-Dioxoinden-2-ylidene)methyl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]methylidene]indene-1,3-dione；2-[[5-[7-[5-[(1,3-dioxoinden-2-ylidene)methyl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]methylidene]indene-1,3-dione
• CAS: 1445721-12-9
• 化学式: C₅₇H₅₄O₄S₂
• 分子量: 867.185
• InChiKey: DMIKIBBVJSBTPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.9
• 重原子数：
  63
• 可旋转键数：
  18
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  125
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-溴噻吩-2-甲醛 、 9,9-二辛基芴-2,7-双(硼酸频哪醇酯) 在 哌啶 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 叔丁醇 为溶剂， 反应 10.0h， 生成 2,2'-((5,5'-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis(thiophene-5,2-diyl))bis(methanylylidene))bis(1H-indene-1,3(2H)-dione)
  参考文献：
  名称：

  Indan-1,3-dione electron-acceptor small molecules for solution-processable solar cells: a structure–property correlation

  摘要：

  提出了新型茚满二酮衍生小分子电子受体 FEHIDT 和 F8IDT 本体异质结太阳能电池的结构-器件性能相关性。基于前者的器件表现出更高的功率转换效率（2.4％）和更高的开路电压，这一发现与分子间相互作用的减少一致。

  DOI：

  10.1039/c3cc42293c

文献信息

• [EN] PHOTOACTIVE OPTOELECTRONIC AND TRANSISTOR DEVICES<br/>[FR] DISPOSITIFS OPTOÉLECTRONIQUES PHOTOACTIFS ET À TRANSISTORS
  申请人：COMMW SCIENT IND RES ORG

  公开号：WO2014026244A1

  公开（公告）日：2014-02-20

  The present invention relates to photoactive optoelectronic devices, such as organic photovoltaic devices, and transistor devices, and to organic compounds for use in the optoelectronic and transistor devices. The present invention also relates to processes for preparing photoactive optoelectronic and transistor devices. The photoactive optoelectronic devices comprise a first and second electrode, and at least one organic light-absorbing electroactive layer in electrical connection with the first and second electrodes that generates an electrical current in response to electromagnetic radiation. The light-absorbing electroactive layer comprises an electron donor material and an electron acceptor material, the electron acceptor material comprising a compound as described herein.
• Indan-1,3-dione electron-acceptor small molecules for solution-processable solar cells: a structure–property correlation
  作者：Kevin N. Winzenberg、Peter Kemppinen、Fiona H. Scholes、Gavin E. Collis、Ying Shu、Th. Birendra Singh、Ante Bilic、Craig M. Forsyth、Scott E. Watkins

  DOI：10.1039/c3cc42293c

  日期：——

  A structure-device performance correlation in bulk heterojunction solar cells for new indandione-derived small molecule electron acceptors, FEHIDT and F8IDT, is presented. Devices based on the former exhibit higher power conversion efficiency (2.4%) and higher open circuit voltage, a finding consistent with reduced intermolecular interactions.

  本文介绍了新茚满衍生物小分子电子受体FEHIDT和F8IDT在体异质结太阳能电池中的结构-器件性能相关性。基于前者的器件具有更高的功率转换效率（2.4%）和更高的开路电压，这一发现与分子间相互作用减少相一致。