2,9-diamino-5,6,12,13-tetrakis(4-(tert-butyl)phenoxy)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone | 1206472-55-0

• 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: 2,9-diamino-5,6,12,13-tetrakis(4-(tert-butyl)phenoxy)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
• CAS: 1206472-55-0
• 化学式: C₆₄H₆₀N₄O₈
• 分子量: 1013.2
• InChiKey: ATXNUJHPTJSZDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.04
• 重原子数：
  76.0
• 可旋转键数：
  8.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  163.72
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  2,9-diamino-5,6,12,13-tetrakis(4-(tert-butyl)phenoxy)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone 、 2,3-双(2,4,5-三甲基-3-噻吩)马来酸酐 在 咪唑 作用下， 以 甲苯 为溶剂， 生成 7-Amino-11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2,5-dioxo-3,4-bis(2,4,5-trimethylthiophen-3-yl)pyrrol-1-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  Photochromic Nanostructures Based on Diarylethenes with Perylene Diimide

  摘要：

  A bisthienylethene-functionalized perylene diimide (3TE-PDI) photochromic dyad was synthesized for self-assembly into 1-D nanotubes by a reprecipitation method. SEM and TEM observations showed that the nanotubes were formed from their 0-D precursors of hollow nanospheres. HR-TEM images revealed that both the nanospheres and the nanotubes have highly ordered lamellar structure, indicating the hierarchical process during assembly. The IR and XRD results revealed that DAE-PDI molecules were connected through intermolecular hydrogen bonds to form building blocks that self-assembled into nanostructures. Electronic absorption and fluorescence spectroscopic results indicated the H-aggregate nature of the self-assembled nanostructures. Competition and cooperation between the dipole dipole in in pi-pi stacking, and hydrophilic/hydrophobic in arc suggested to result in nanostructures. Reconstruction was found to happen during the morphology transition progress from the 0-D nanospheres to the 1-D nanotubes, which was driven by donor-acceptor-dipole-dipole interactions. Green emission at 520 nm originating from the DAE subunit was observed for the aggregates of vesicles and nanotubes, which could be regulated by photoirradiation with 365 mu light, suggesting the nanoagaregates to be photochromic switches.

  DOI：

  10.1021/la9040387