5,13,21,29-Tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene | 1189561-96-3

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 5,13,21,29-Tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene
• CAS: 1189561-96-3
• 化学式: C₇₀H₇₄
• 分子量: 915.358
• InChiKey: OFBZVWVFURYAKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.9
• 重原子数：
  70
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  3,10-Ditert-butyl-5,6,12,13-tetrakis(4-tert-butylphenyl)naphtho[1,2-b]phenanthrene 在 ferric(III) bromide 作用下， 以 硝基甲烷 为溶剂， 反应 0.17h， 以68%的产率得到5,13,21,29-Tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene
  参考文献：
  名称：

  Efficient Synthesis and Characterization of Dibenzo[a,m]rubicenes and Tetrabenzo[a,f,r,m]rubicenes

  摘要：

  We report an efficient synthesis of dibenzo[a,m]rubicenes and tetrabenzo[a,f,r,m]rubicenes involving ICL-mediated benzannulation of 1,4-diphenyl-2,5-dialkynylbenzene 5 as the key step. Preliminary data on the photophysical properties of these new indeno-PAHs are reported.

  DOI：

  10.1021/jo9015437

文献信息

• Efficient Synthesis and Characterization of Dibenzo[<i>a</i>,<i>m</i>]rubicenes and Tetrabenzo[<i>a</i>,<i>f</i>,<i>r</i>,<i>m</i>]rubicenes
  作者：Hung-Hung Hseuh、Ming-Yu Hsu、Tien-Lin Wu、Rai-Shung Liu

  DOI：10.1021/jo9015437

  日期：2009.11.6

  We report an efficient synthesis of dibenzo[a,m]rubicenes and tetrabenzo[a,f,r,m]rubicenes involving ICL-mediated benzannulation of 1,4-diphenyl-2,5-dialkynylbenzene 5 as the key step. Preliminary data on the photophysical properties of these new indeno-PAHs are reported.