N,N'-bis(2-decyl-tetradecyl)-1,7-bis(2-bromothien-5-yl)-perylene-3,4:9,10-tetracarboxylic diimide | 1398111-09-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: N,N'-bis(2-decyl-tetradecyl)-1,7-bis(2-bromothien-5-yl)-perylene-3,4:9,10-tetracarboxylic diimide
• 英文别名: 11,22-Bis(5-bromothiophen-2-yl)-7,18-bis(2-decyltetradecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
• CAS: 1398111-09-5
• 化学式: C₈₀H₁₀₈Br₂N₂O₄S₂
• 分子量: 1385.69
• InChiKey: BLIRLEKBLGBJGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  32
• 重原子数：
  90
• 可旋转键数：
  46
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  131
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N'-bis(2-decyl-tetradecyl)-1,7-bis(2-bromothien-5-yl)-perylene-3,4:9,10-tetracarboxylic diimide 在 碘 作用下， 以 氯仿 为溶剂， 反应 12.0h， 以64.3%的产率得到N,N'-bis(2-decyl-tetradecyl)-5′,5″-dibromo-dithieno-[2',3':5,6;2",3":11,12]coronene-2,3,8,9-tetracarboxylic diimide
  参考文献：
  名称：

  A Low-Bandgap Conjugated Copolymer Based on Porphyrin and Dithienocoronene Diimide with Strong Two-Photon Absorption

  摘要：

  A new low-bandgap donor-acceptor (D-A) conjugated copolymer poly(DTCDI-POR) of planar acceptor dithienocoronene diimide (DTCDI) and strong donor porphyrin (POR) has been synthesized by Sonogashira coupling polymerization. Poly(DTCDI-POR) exhibits good thermal stability (decomposition temperature of 323 degrees C), strong absorption (molar extinction coefficient per repeat unit is 1.05 X 10(5) L mol(-1) cm(-1) at 468 nm in CHCl3 solution) in visible and near-infrared region (300-900 nm), low bandgap (1.44 eV), and strong two-photon absorption (2PA) at telecommunication wavelengths with 2PA cross sections per repeat unit as high as 7809 GM at 1520 nm.

  DOI：

  10.1021/ma3015257
• 作为产物：
  描述：

  N,N'-bis(2-decyltetradecyl)-1,7-bis(thien-2-yl)-perylene-3,4:9,10-tetracarboxylic diimide 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 氯仿 为溶剂， 以88.4%的产率得到N,N'-bis(2-decyl-tetradecyl)-1,7-bis(2-bromothien-5-yl)-perylene-3,4:9,10-tetracarboxylic diimide
  参考文献：
  名称：

  A Low-Bandgap Conjugated Copolymer Based on Porphyrin and Dithienocoronene Diimide with Strong Two-Photon Absorption

  摘要：

  A new low-bandgap donor-acceptor (D-A) conjugated copolymer poly(DTCDI-POR) of planar acceptor dithienocoronene diimide (DTCDI) and strong donor porphyrin (POR) has been synthesized by Sonogashira coupling polymerization. Poly(DTCDI-POR) exhibits good thermal stability (decomposition temperature of 323 degrees C), strong absorption (molar extinction coefficient per repeat unit is 1.05 X 10(5) L mol(-1) cm(-1) at 468 nm in CHCl3 solution) in visible and near-infrared region (300-900 nm), low bandgap (1.44 eV), and strong two-photon absorption (2PA) at telecommunication wavelengths with 2PA cross sections per repeat unit as high as 7809 GM at 1520 nm.

  DOI：

  10.1021/ma3015257