4,9-bis(5-(6-(diphenylamino)-9-ethyl-9H-carbazol-3-yl)thiophen-2-yl)-2,7-bis(2-ethylhexyl) benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone | 1257127-95-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,9-bis(5-(6-(diphenylamino)-9-ethyl-9H-carbazol-3-yl)thiophen-2-yl)-2,7-bis(2-ethylhexyl) benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
• 英文别名: 2,9-bis[5-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]-6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
• CAS: 1257127-95-9
• 化学式: C₁₁₂H₁₂₄N₄O₄S₂
• 分子量: 1654.37
• InChiKey: RDZBVTCODCXXLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  35.7
• 重原子数：
  122
• 可旋转键数：
  42
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,6-二溴-N,N'-双(2-乙基己基)-1,8:4,5-萘四甲酰基二酰亚胺 、 7-(5-(tributylstannyl)thiophen-2-yl)-9,9-dihexyl-N,N-diphenyl-9H-fluoren-2-amine 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以80%的产率得到4,9-bis(5-(6-(diphenylamino)-9-ethyl-9H-carbazol-3-yl)thiophen-2-yl)-2,7-bis(2-ethylhexyl) benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
  参考文献：
  名称：

  Synthesis and characterization of naphthalene diimide (NDI)-based near infrared chromophores with two-photon absorbing properties

  摘要：

  A new series of 2,7-bis-(2-ethylhexyl)-benzo[lmn][3,8]-phenanthroline-1,3,6,8-tetraone (NDI) based pseudo-quadrupolar molecules (1-6) is presented and their two-photon absorption (2PA) cross-sections measured with the Z-scan method. The spectral properties of these compounds can be fine-tuned via modification of the donor segments. The corresponding 2PA cross-section (sigma(2)) values at the most readily available 800 nm excitation range from 229 +/- 15 to 1092 +/- 59 GM owing to differences in conjugation length and/or position of substitution. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.09.041

文献信息

• Synthesis and characterization of naphthalene diimide (NDI)-based near infrared chromophores with two-photon absorbing properties
  作者：Chao-Chen Lin、Marappan Velusamy、Hsien-Hsin Chou、Jiann T. Lin、Pi-Tai Chou

  DOI：10.1016/j.tet.2010.09.041

  日期：2010.11

  A new series of 2,7-bis-(2-ethylhexyl)-benzo[lmn][3,8]-phenanthroline-1,3,6,8-tetraone (NDI) based pseudo-quadrupolar molecules (1-6) is presented and their two-photon absorption (2PA) cross-sections measured with the Z-scan method. The spectral properties of these compounds can be fine-tuned via modification of the donor segments. The corresponding 2PA cross-section (sigma(2)) values at the most readily available 800 nm excitation range from 229 +/- 15 to 1092 +/- 59 GM owing to differences in conjugation length and/or position of substitution. (C) 2010 Elsevier Ltd. All rights reserved.