5-(3-(5-溴噻吩-2-基)-5,7-双(2-乙基己基)-4,8-二氧代-4,8-二氢苯并[1,2-C:4,5-C”]二噻吩-1-基)噻吩-2-甲醛结构式

5-(3-(5-溴噻吩-2-基)-5,7-双(2-乙基己基)-4,8-二氧代-4,8-二氢苯并[1,2-C:4,5-C”]二噻吩-1-基)噻吩-2-甲醛
中文名称:5-(3-(5-溴噻吩-2-基)-5,7-双(2-乙基己基)-4,8-二氧代-4,8-二氢苯并[1,2-C:4,5-C”]二噻吩-1-基)噻吩-2-甲醛
英文名称:5-(3-(5-bromothiophen-2-yl)-5,7-bis(2-ethylhexyl)-4,8-dioxo-4,8-dihydrobenzo[1,2-c;4,5-c']dithiophen-1-yl)thiophene-2-carbaldehyde
CAS No.:1252914-65-0
分子式:C64H42N2O2 分子量:871.03
5-(3-(5-溴噻吩-2-基)-5,7-双(2-乙基己基)-4,8-二氧代-4,8-二氢苯并[1,2-C:4,5-C”]二噻吩-1-基)噻吩-2-甲醛 数据
Mol:
  3.9776    0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7981    0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1336    1.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6487    2.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420   -0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1269   -0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7914   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860   -0.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8215   -0.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -3.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    3.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 15 16  1  0  0  0  0
  7 16  1  0  0  0  0
 11 16  1  0  0  0  0
  1 17  1  0  0  0  0
  8 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 20  2  0  0  0  0
 24 21  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
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 28 23  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
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 32 37  2  0  0  0  0
 28 32  1  0  0  0  0
 18 27  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 17 63  1  0  0  0  0
M  END                                
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5-(3-(5-溴噻吩-2-基)-5,7-双(2-乙基己基)-4,8-二氧代-4,8-二氢苯并[1,2-C:4,5-C”]二噻吩-1-基)噻吩-2-甲醛 Smile 编码:
C1(N(C2=CC=CC=C2)C2=C3C(=CC=C2)C2=CC=CC(C4=CC=CC=C4)=C2O3)=C2C3C4C(C=C2)=CC=C(N(C2=CC=CC=C2)C2=C5C(=CC=C2)C2=CC=CC(C6=CC=CC=C6)=C2O5)C4=CC=C3C=C1
5-(3-(5-溴噻吩-2-基)-5,7-双(2-乙基己基)-4,8-二氧代-4,8-二氢苯并[1,2-C:4,5-C”]二噻吩-1-基)噻吩-2-甲醛 InChi 编码:
InChI=1S/C64H42N2O2/c1-5-17-41(18-6-1)47-25-13-27-49-51-29-15-31-57(63(51)67-61(47)49)65(45-21-9-3-10-22-45)55-39-35-43-34-38-54-56(40-36-44-33-37-53(55)59(43)60(44)54)66(46-23-11-4-12-24-46)58-32-16-30-52-50-28-14-26-48(62(50)68-64(52)58)42-19-7-2-8-20-42/h1-40,59-60H
5-(3-(5-溴噻吩-2-基)-5,7-双(2-乙基己基)-4,8-二氧代-4,8-二氢苯并[1,2-C:4,5-C”]二噻吩-1-基)噻吩-2-甲醛 InChiKey 编码:
MZRJNQPFMYEHSJ-UHFFFAOYSA-N