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-hexylheptyl)anthra[2,1,9-def;6,5,10-d',e',f']diisoquinoline-1,3,8,10-tetraone} | 1009634-95-0

• 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: 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-hexylheptyl)anthra[2,1,9-def;6,5,10-d',e',f']diisoquinoline-1,3,8,10-tetraone}
• 英文别名: 7-[22-Methyl-11,18-bis(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone；7-[22-methyl-11,18-bis(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaenyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• CAS: 1009634-95-0
• 化学式: C₁₃₄H₁₂₀N₆O₁₂
• 分子量: 2006.46
• InChiKey: WWYFVSUTPFXQSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  32.8
• 重原子数：
  152
• 可旋转键数：
  36
• 环数：
  27.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  224
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  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-(1-hexylheptyl)-perylene-3,4,9,10-tetracarboxylic-3,4-carboximide-9,10-anhydride 在 咪唑 、 zinc diacetate 作用下， 反应 3.0h， 以12%的产率得到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-hexylheptyl)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.