4-(3-溴苯基)-2,6-二苯基嘧啶结构式

中文名称:4-(3-溴苯基)-2,6-二苯基嘧啶
英文名称:4-(3-Bromophenyl)-2,6-diphenylpyrimidine
CAS No.:864377-28-6
分子式:C22H15BrN2 分子量:387.271904230118
4-(3-溴苯基)-2,6-二苯基嘧啶 数据
Mol:
0  0  0  0  0  0  0
   -7.5000    5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    3.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 10 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
  7  2  1  0
  8 13  1  0
 14 19  1  0
 20 25  1  0
M  END                                
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4-(3-溴苯基)-2,6-二苯基嘧啶 Smile 编码:
BrC1C=C(C2C=C(C3C=CC=CC=3)N=C(C3C=CC=CC=3)N=2)C=CC=1
4-(3-溴苯基)-2,6-二苯基嘧啶 InChi 编码:
1S/C22H15BrN2/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-22(25-21)17-10-5-2-6-11-17/h1-15H
4-(3-溴苯基)-2,6-二苯基嘧啶 InChiKey 编码:
BPMSGKUGXMWVBH-UHFFFAOYSA-N