| 1224849-56-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• CAS: 1224849-56-2
• 化学式: C₅₄H₁₄O₁₂
• 分子量: 854.698
• InChiKey: CBPZNPYKZGKTQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.89
• 重原子数：
  66.0
• 可旋转键数：
  0.0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  189.12
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  、 3-氨基戊烷 在 咪唑 作用下， 反应 4.0h， 以85%的产率得到
  参考文献：
  名称：

  Effect of substituents of twisted benzodiperylenediimides on non-fullerene solar cells

  摘要：

  Twisted benzodiperylenediimides (TBDPDI) with large rigid conjugated core and strong absorption is regarded as an excellent acceptor in non-fullerene solar cells. Since side chains of semiconductors play a crucial role in the solar cells, TBDPDI acceptors with different side chains (1-ethylpropyl, C5; 2-ethylhexyl, C8; 1-pentylhexyl, C11; 2-octyldodecyl, C20; 1-undecyldodecyl, C23) were synthesized. In solution, TBDPDI compounds (C5, C11, and C23) with alkyl chains branched at 1-position show significantly different absorption profiles and fluorescence intensity with those (C8 and C20) branched at 2-position, due to stronger aggregation of the latter. Nevertheless, alkyl chains have little effect on the molecular orbital energy levels and optical band gaps, as verified by cyclic voltammetry and solid state absorption. Due to their complementary absorption and matchable energy levels with donor of PCE10, these acceptors and PCE10 were used together to fabricate bulk heterojunction (BHJ) solar cells. Because of inferior phase separation with large domain size around 100 nm and bulky insulated side chains, acceptors (C20 and C23) with long alkyl chains have the low electron mobility (mu(e)) around 10(-8) cm(2) v(-1) s(-1) and the low power conversion efficiency (PCE) of solar cells. TBDPDI (C11) with 1-pentylhexyl gives the highest PCE of 5.0% under the optimized condition, which is attributed to proper phase separation with domain size around 20 nm and highest mu(e) of 10(-6) cm(2) V-1 s(-1). (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.orgel.2017.04.032
• 作为产物：
  描述：

  Tetrabutyl 1-[4-[3,4,9,10-tetrakis(butoxycarbonyl)perylen-1-yl]phenyl]perylene-3,4,9,10-tetracarboxylate 在 碘 、 2,3-二氯-5,6-二氰基-1,4-苯醌 、 氯磺酸 作用下， 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  环融合作为高性能非富勒烯有机光伏受体的per二酰亚胺二聚体设计概念†

  摘要：

  一系列of二酰亚胺（PDI）二聚体被评估为有机光伏（OPV）电池的受体。这些材料使用多种物理和计算技术进行表征。这些二聚体首先通过芳族间隔基连接在每个PDI分子的间隔位置。随后的光环化提供了环稠合的二聚体。因此，噻吩连接的二聚体2，5-双-[ N，N'-双-ylene二酰亚胺-1-基]-噻吩（T1）的光环化提供了扭曲的受体[2,3- b：2'，3' - d ] -双- [ ñ，ñ ' -双苝二酰亚胺-1,12-基] -噻吩（T2），虽然噻吩并噻吩连接的二聚体进行光环化，但2,5-双-[ N，N'-双-二酰亚胺-1-基] -噻吩并噻吩（TT1）提供了平面受体[2,3- b：2'， 3′- d ]-双-[ N，N′-双-二酰亚胺-1，12-基]-噻吩并噻吩（TT2）。此外，通过亚苯基连接的二聚体1,4-双-[ N，N'-双-二酰亚胺-1-基]-苯（Ph1）可以选择性地光环化以形成扭曲的二聚体[1，

  DOI：

  10.1039/c5sc04956c

文献信息

• A design concept of planar conjugated ladder oligomers of perylene bisimides and efficient synthetic strategy via regioselective photocyclization
  作者：Zhongyi Yuan、Yi Xiao、Xuhong Qian

  DOI：10.1039/b925605a

  日期：——

  By photocyclization, benzene, thieno[3,2-b]thiophene, and fluorene units were embedded between the two perylene units. Symmetric oligomeric perylene bisimide 6 displays broad absorption and strong electron-accepting ability.

  通过光环化，将苯，噻吩并[3,2-b]噻吩和芴单元嵌入两个per单元之间。对称的低聚per双酰亚胺6具有广泛的吸收能力和较强的电子接受能力。