1,3-bis(5’-hexyl-2,2’-bithiophen-5-yl)-5-octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione | 1603829-49-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 双噻吩和低聚噻吩
• 英文名称: 1,3-bis(5’-hexyl-2,2’-bithiophen-5-yl)-5-octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
• 英文别名: 1,3-bis(5'-hexyl-[2,2'-bithiophen]-5-yl)-5-octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione；1,3-Bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-octylthieno[3,4-c]pyrrole-4,6-dione；1,3-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-octylthieno[3,4-c]pyrrole-4,6-dione
• CAS: 1603829-49-7
• 化学式: C₄₂H₅₁NO₂S₅
• 分子量: 762.202
• InChiKey: ZSYDHBQXRDYTRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.1
• 重原子数：
  50
• 可旋转键数：
  21
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  179
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-正辛基-3,4-噻吩二甲酰亚胺 在 N-溴代丁二酰亚胺(NBS) 、 trans-bis(triphenylphosphine)palladium dichloride 、 硫酸 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 生成 1,3-bis(5’-hexyl-2,2’-bithiophen-5-yl)-5-octyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
  参考文献：
  名称：

  Thieno[3,4-c]pyrrole-4,6-dione-Based Small Molecules for Highly Efficient Solution-Processed Organic Solar Cells

  摘要：

  AbstractTwo small molecules named BT‐TPD and TBDT‐TTPD with a thieno[3,4‐c]pyrrole‐4,6‐dione (TPD) unit were designed and synthesized for solution‐processed bulk‐heterojunction solar cells. Their thermal, electrochemical, optical, charge‐transport, and photovoltaic characteristics were investigated. These compounds exhibit strong absorption at 460–560 nm and low highest occupied molecular orbital levels (−5.36 eV). Field‐effect hole mobilities of these compounds are 1.7–7.7×10−3 cm2 V−1 s−1. Small‐molecule organic solar cells based on blends of these donor molecules and a acceptor display power conversion efficiencies as high as 4.62 % under the illumination of AM 1.5G, 100 mW cm−2.

  DOI：

  10.1002/asia.201301357

文献信息

• 유기 반도체 화합물, 이의 제조방법 및 이를 채용한 유기 태양전지
  申请人：INDUSTRY-ACADEMIC COOPERATION FOUNDATION GYEONGSANG NATIONAL UNIVERSITY 경상국립대학교산학협력단(220040107194) BRN ▼613-82-11653

  公开号：KR101563120B1

  公开（公告）日：2015-11-06

  본 발명은 단분자로 이루어진 유기 반도체 화합물, 이의 제조방법 및 이를 채용한 유기 태양전지에 관한 것이다. 보다 구체적으로 분자 내 전자 받게 영역에 알킬 이미드를 포함하는 방향족 화합물을 도입한 단분자 유기 반도체 화합물, 이의 제조방법, 이러한 단분자 유기 반도체 화합물을 함유하는 고분자 화합물 및 고분자 화합물을 함유하는 유기 태양전지에 관한 것이다.

  本发明涉及由单分子有机半导体化合物制成的有机太阳能电池，以及其制造方法和采用该化合物的有机太阳能电池。更具体地说，本发明涉及引入芳香族化合物和含有亚胺基的区域的分子内电子受体的单分子有机半导体化合物，其制造方法，含有这种单分子有机半导体化合物的高分子化合物，以及含有高分子化合物的有机太阳能电池。