8-phenyl(bis[N-butyl-tetra(tert-butylphenoxy)peryleno]xanthene-7,9-dione) | 1411701-26-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 8-phenyl(bis[N-butyl-tetra(tert-butylphenoxy)peryleno]xanthene-7,9-dione)
• 英文别名: 14,38-Dibutyl-18,21,31,42,45,50,52,53-octakis(4-tert-butylphenoxy)-26-phenyl-3-oxa-14,38-diazapentadecacyclo[30.14.2.25,8.29,12.233,36.02,27.04,25.06,23.07,20.010,19.011,16.029,47.034,43.035,40.044,48]tetrapentaconta-1(46),2(27),4(25),5(54),6,8(53),9(52),10,12(51),16,18,20,22,29,31,33(50),34,36(49),40,42,44,47-docosaene-13,15,24,28,37,39-hexone；14,38-dibutyl-18,21,31,42,45,50,52,53-octakis(4-tert-butylphenoxy)-26-phenyl-3-oxa-14,38-diazapentadecacyclo[30.14.2.25,8.29,12.233,36.02,27.04,25.06,23.07,20.010,19.011,16.029,47.034,43.035,40.044,48]tetrapentaconta-1(46),2(27),4(25),5(54),6,8(53),9(52),10,12(51),16,18,20,22,29,31,33(50),34,36(49),40,42,44,47-docosaene-13,15,24,28,37,39-hexone
• CAS: 1411701-26-2
• 化学式: C₁₄₅H₁₃₆N₂O₁₅
• 分子量: 2146.68
• InChiKey: HLPBNYBNYJBRNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  38.1
• 重原子数：
  162
• 可旋转键数：
  31
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  192
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  phenylmethylene(bis[N-butyl-tetra(tert-butylphenoxy)hydroxybenzo[c,d]perylenone]) 以 乙酸酐 为溶剂， 反应 2.0h， 以72%的产率得到8-phenyl(bis[N-butyl-tetra(tert-butylphenoxy)peryleno]xanthene-7,9-dione)
  参考文献：
  名称：

  Synthesis and Properties of a Covalently Linked Angular Perylene Imide Dimer

  摘要：

  Utilizing the unexplored chemistry of a monocarbon analog to perylene bisimide, a covalently linked angular perylene dimer was synthesized. On the basis of measured optical properties and molecular modeling, the spectral changes relative to a monomeric reference perylene can be explained by an angle-dependent oblique exciton coupling model. With a roughly trigonal interchromophore arrangement, the dimer building block is promising for larger, cyclic assemblies to mimic naturally occurring light harvesting complexes.

  DOI：

  10.1021/ol3029115