6,13-bis(diphenylmethylene)-6,13-dihydropentacene | 954097-67-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 6,13-bis(diphenylmethylene)-6,13-dihydropentacene
• 英文别名: 6,13-Dibenzhydrylidenepentacene
• CAS: 954097-67-7
• 化学式: C₄₈H₃₂
• 分子量: 608.782
• InChiKey: FEFNNOYXTJGRGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  48
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  6,13-bis(diphenylmethylene)-6,13-dihydropentacene 在 碘 、 methyloxirane 、 iron(III) chloride 作用下， 以 甲苯 、 硝基甲烷 、 二氯甲烷 为溶剂， 反应 14.0h， 以88%的产率得到六苯并[a,d,g,j,m,p]晕苯
  参考文献：
  名称：

  Polysubstituted Hexa-cata-hexabenzocoronenes: Syntheses, Characterization, and Their Potential as Semiconducting Materials in Transistor Applications

  摘要：

  A series of tetra- and octa-substituted hexa-cata-hexabenzocoronenes (cata-HBCs) were synthesized from tetraryl olefins via iodine- and iron chloride-catalyzed oxidative cyclodehydrogenation reactions. The substitutions on the periphery of the parent HBC serve to modify the photophysical properties, highest occupied molecular orbital-lowest unoccupied molecular orbital gaps, and thermal stabilities of the respective derivatives. The crystal structures were determined to display multiple twists in the framework, resulting in different packing motifs depending on the position, type, and number of functional groups on the hexabenzocoronene framework. Nearly perfect co-facial packing to marginally or extensively shifted co-facial stacks were obtained due to substitution. The single crystals of parent HBC were used to fabricate single-crystal field-effect transistors, from which the highest p-channel mobility of 0.51 cm² V^-1 s^-1 was measured. Thin-film transistors of selected HBCs were also prepared, and 0.61 cm² V^-1 s^-1 was obtained for MeHBC-2. These results attest the potential of these materials as semiconducting materials.

  DOI：

  10.1021/acs.joc.9b00802
• 作为产物：
  描述：

  13-Benzhydrylidene-13H-pentacen-6-one 在 劳森试剂 、 三苯基膦 作用下， 以 四氢呋喃 、 甲苯 、 xylene 为溶剂， 反应 13.5h， 生成 6,13-bis(diphenylmethylene)-6,13-dihydropentacene
  参考文献：
  名称：

  扭曲的芳族化合物形成的分子丝。

  摘要：

  DOI：

  10.1002/anie.200502142

文献信息

• 双(二芳基亚甲基)-二氢并苯类化合物的聚集 诱导发光和聚集促进光致变色
  申请人：唐本忠

  公开号：CN107001926B

  公开（公告）日：2020-04-14

  本发明提供一系列新的具有聚集诱导发光特性的多环分子双(二芳基亚甲基)‑二氢并苯类化合物及其在有机光致变色材料中的应用。