2,6,10-triamino-4b,8b,12b,12d-tetrahydro-12d-methyldibenzo[2,3:4,5]pentaleno[1,6-ab]indene | 1009635-01-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2,6,10-triamino-4b,8b,12b,12d-tetrahydro-12d-methyldibenzo[2,3:4,5]pentaleno[1,6-ab]indene
• 英文别名: 22-Methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaene-4,11,18-triamine；22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaene-4,11,18-triamine
• CAS: 1009635-01-1
• 化学式: C₂₃H₂₁N₃
• 分子量: 339.44
• InChiKey: KLDWCNCIVQNANZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  78.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6,11-triamino-4b,8b,12b,12d-tetrahydro-12d-methyldibenzo[2,3:4,5]pentaleno[1,6-ab]indene 、 2,6,10-triamino-4b,8b,12b,12d-tetrahydro-12d-methyldibenzo[2,3:4,5]pentaleno[1,6-ab]indene 、 N-(10-nonadecyl)-3,4,9,10-perylenetetracarboxylic acid 3,4-anhydride-9,10-imide 在 咪唑 、 zinc diacetate 作用下， 反应 3.0h， 生成 2,2',2''-(4b,8b,12b,12d-tetrahydro-12d-methyldibenzo[2,3:4,5]pentaleno[1,6-ab]indene-2,6,11-triyl)tris-{9-(1-nonyldecyl)anthra[2,1,9-def;6,5,10-d',e',f']diisoquinoline-1,3,8,10-tetraone} 、 2,2',2''-(4b,8b,12b,12d-tetrahydro-12d-methyldibenzo[2,3:4,5]pentaleno[1,6-ab]indene-2,6,10-triyl)tris-{9-(1-nonyldecyl)anthra[2,1,9-def;6,5,10-d',e',f']diisoquinoline-1,3,8,10-tetraone}
  参考文献：
  名称：

  Three Orthogonal Chromophores Operating Independently within the Same Molecule

  摘要：

  [GRAPHICS]Three perylene bisimide chromophores were arranged orthogonally to each other within the same molecule by appropriate 3-fold coupling to 10-methyltribenzotriquinacene, a rigid C-3 nu-symmetrical framework containing three indane units oriented at right angles in space. The electronic operation of the three chromophores was shown to be independent within the C-3-symmetrical product, and potential applications of this novel molecular setup in molecular electronics are discussed.

  DOI：

  10.1021/jo7016179

文献信息

• Three Orthogonal Chromophores Operating Independently within the Same Molecule
  作者：Heinz Langhals、Maximilian Rauscher、Jörg Strübe、Dietmar Kuck

  DOI：10.1021/jo7016179

  日期：2008.2.1

  [GRAPHICS]Three perylene bisimide chromophores were arranged orthogonally to each other within the same molecule by appropriate 3-fold coupling to 10-methyltribenzotriquinacene, a rigid C-3 nu-symmetrical framework containing three indane units oriented at right angles in space. The electronic operation of the three chromophores was shown to be independent within the C-3-symmetrical product, and potential applications of this novel molecular setup in molecular electronics are discussed.