2-(3-cyano-4-{2-[2-(2-{5-[2-(4-dibutylaminophenyl)vinyl]-1-hexyl-1H-pyrrol-2-yl}vinyl)thiazol-5-yl]vinyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(3-cyano-4-{2-[2-(2-{5-[2-(4-dibutylaminophenyl)vinyl]-1-hexyl-1H-pyrrol-2-yl}vinyl)thiazol-5-yl]vinyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile
• 英文别名: 2-[3-cyano-4-[(E)-2-[2-[(E)-2-[5-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-1-hexylpyrrol-2-yl]ethenyl]-1,3-thiazol-5-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile
• 化学式: C₄₃H₅₀N₆OS
• 分子量: 698.976
• InChiKey: ASSJQIBLGFUZOK-XKTSZQJGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  51
• 可旋转键数：
  18
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (1-hexyl-1H-pyrrol-2-ylmethyl)dimethylamine 在 哌啶 、 正丁基锂 、 potassium tert-butylate 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 甲苯 、 乙腈 为溶剂， -78.0~20.0 ℃ 、137.9 kPa 条件下， 反应 13.63h， 生成 2-(3-cyano-4-{2-[2-(2-{5-[2-(4-dibutylaminophenyl)vinyl]-1-hexyl-1H-pyrrol-2-yl}vinyl)thiazol-5-yl]vinyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile
  参考文献：
  名称：

  Two-Photon Absorption at Telecommunications Wavelengths in a Dipolar Chromophore with a Pyrrole Auxiliary Donor and Thiazole Auxiliary Acceptor

  摘要：

  Three new dipolar chromophores based on a diaklyaminophenyl donor, a pyrrole auxiliary donor, a thiazole auxiliary acceptor, and strong heterocyclic acceptors have been synthesized. For one of these compounds we have measured a very large non-degenerate two-photon cross section of ca. 1500 GM in the near-IR telecommunications range using a pump-probe technique. Calculations indicate the cross section for degenerate two-photon absorption is likely to be ca. 60% of this value.

  DOI：

  10.1021/ja050688l

文献信息

• Two-Photon Absorption at Telecommunications Wavelengths in a Dipolar Chromophore with a Pyrrole Auxiliary Donor and Thiazole Auxiliary Acceptor
  作者：Luca Beverina、Jie Fu、Amalia Leclercq、Egbert Zojer、Peter Pacher、Stephen Barlow、Eric W. Van Stryland、David J. Hagan、Jean-Luc Brédas、Seth R. Marder

  DOI：10.1021/ja050688l

  日期：2005.5.25

  Three new dipolar chromophores based on a diaklyaminophenyl donor, a pyrrole auxiliary donor, a thiazole auxiliary acceptor, and strong heterocyclic acceptors have been synthesized. For one of these compounds we have measured a very large non-degenerate two-photon cross section of ca. 1500 GM in the near-IR telecommunications range using a pump-probe technique. Calculations indicate the cross section for degenerate two-photon absorption is likely to be ca. 60% of this value.