3,6-二(4-吡啶基乙炔基)咔唑结构式

3,6-二(4-吡啶基乙炔基)咔唑
中文名称:3,6-二(4-吡啶基乙炔基)咔唑
英文名称:3,6-Di(4-pyridylethynyl)carbazole
CAS No.:1372528-54-5
分子式:C26H15N3 分子量:369.417405366898
3,6-二(4-吡啶基乙炔基)咔唑 数据
Mol:
.3875   -0.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3115   -0.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0537   -1.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452   -1.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7410   -2.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9579   -2.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0327   -1.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663   -1.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4073   -3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916   -3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6989   -2.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0
  1  7  1  0
  2 26  2  0
  2 28  1  0
  3 27  2  0
  3 29  1  0
  4  5  1  0
  4  6  2  0
  4  8  1  0
  5  7  2  0
  5  9  1  0
  6 10  1  0
  7 11  1  0
  8 12  2  0
  9 13  2  0
 10 14  2  0
 11 15  2  0
 12 14  1  0
 12 16  1  0
 13 15  1  0
 13 17  1  0
 16 18  3  0
 17 19  3  0
 18 20  1  0
 19 21  1  0
 20 22  2  0
 20 24  1  0
 21 23  2  0
 21 25  1  0
 22 26  1  0
 23 27  1  0
 24 28  2  0
 25 29  2  0
M  END                                
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3,6-二(4-吡啶基乙炔基)咔唑 Smile 编码:
N1C2C=CC(C#CC3C=CN=CC=3)=CC=2C2C=C(C#CC3C=CN=CC=3)C=CC1=2
3,6-二(4-吡啶基乙炔基)咔唑 InChi 编码:
1S/C26H15N3/c1(19-9-13-27-14-10-19)3-21-5-7-25-23(17-21)24-18-22(6-8-26(24)29-25)4-2-20-11-15-28-16-12-20/h5-18,29H
3,6-二(4-吡啶基乙炔基)咔唑 InChiKey 编码:
VWVOTILQHOMJDZ-UHFFFAOYSA-N