Tetranaphtha<2.1.8-uva, 1'.8'.7'-cde, 2''.1''.8''-jkl, 1'''.8'''.7'''-nop>pentacen | 20851-98-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: Tetranaphtha<2.1.8-uva, 1'.8'.7'-cde, 2''.1''.8''-jkl, 1'''.8'''.7'''-nop>pentacen
• 英文别名: Tridecacyclo[24.20.0.03,24.04,13.07,12.011,16.014,23.015,20.027,36.030,35.034,39.037,46.038,43]hexatetraconta-1(46),2,4(13),5,7(12),8,10,14(23),15(20),16,18,21,24,26,28,30(35),31,33,36,38(43),39,41,44-tricosaene；tridecacyclo[24.20.0.03,24.04,13.07,12.011,16.014,23.015,20.027,36.030,35.034,39.037,46.038,43]hexatetraconta-1(46),2,4(13),5,7(12),8,10,14(23),15(20),16,18,21,24,26,28,30(35),31,33,36,38(43),39,41,44-tricosaene
• CAS: 20851-98-3
• 化学式: C₄₆H₂₂
• 分子量: 574.681
• InChiKey: YWNIJKZLWBKNSQ-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 密度：
  1.513±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.28
• 重原子数：
  46.0
• 可旋转键数：
  0.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  1,2,4,5-tetra-2'-naphthylbenzene 在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 12.0h， 以81%的产率得到Tetranaphtha<2.1.8-uva, 1'.8'.7'-cde, 2''.1''.8''-jkl, 1'''.8'''.7'''-nop>pentacen
  参考文献：
  名称：

  Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties

  摘要：

  New classes of nonlinear polyaromatics with extended conjugation at lateral and longitudinal directions from triphenylene, tetracene, and pentacene backbones are reported. These planar and twisted polyfused aromatics are obtained through specific and selective multifold Scholl reactions from predesigned polyaryls. These derivatives displayed shifted or perfect cofacial packing motifs. Single crystals of one derivative, phenanthro[9,10:b]triphenylene, were used as p-channel materials in fabricating transistor devices, which exhibited an average mobility of 0.38 cm(2) s(-1) and a maximum mobility reaching 1.15 cm(2) V-1 s(-1)

  DOI：

  10.1021/acs.joc.8b01582

文献信息

• Untersuchungen �ber Perylen und seine Derivate, 67. Mitt.: Mehrkernige Aromaten durch Diensynthesen mit Perylen
  作者：R. Ott、F. Wiedemann、A. Zinke

  DOI：10.1007/bf00904339

  日期：——