Chem
J-GLOBAL ID：200907002932179167   Nikkaji number：J2.660.755H

3,6-Bis(2,2′:5′,2′′-terthiophene-5-yl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

3,6-ビス(2,2′:5′,2′′-テルチオフェン-5-イル)-2,5-ジオクチルピロロ[3,4-c]ピロール-1,4(2H,5H)-ジオン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C46H48N2O2S6
Molecular formula furigana： C46-H48-N2-O2-S6
Molecular weight： 853.260
InChI： InChI=1S/C46H48N2O2S6/c1-3-5-7-9-11-13-27-47-43(39-25-23-37(55-39)35-21-19-33(53-35)31-17-15-29-51-31)41-42(45(47)49)44(48(46(41)50)28-14-12-10-8-6-4-2)40-26-24-38(56-40)36-22-20-34(54-36)32-18-16-30-52-32/h15-26,29-30H,3-14,27-28H2,1-2H3
InChI key： PNVQNTCNTUTTFA-UHFFFAOYSA-N
SMILES： CCCCCCCCn1c(=O)c2c(n(CCCCCCCC)c(=O)c2c1c1ccc(s1)c1ccc(s1)c1cccs1)c1ccc(s1)c1ccc(s1)c1cccs1
Systematic name  (3)：
  • 3,6-ビス(2,2′:5′,2′′-テルチオフェン-5-イル)-2,5-ジオクチルピロロ[3,4-c]ピロール-1,4(2H,5H)-ジオン
  • 3,6-ビス(5-{[2,2'-ビチオフェン]-5-イル}チオフェン-2-イル)-2,5-ジオクチル-1H,2H,4H,5H-ピロロ[3,4-c]ピロール-1,4-ジオン
  • 3,6-bis(5-{[2,2'-bithiophen]-5-yl}thiophen-2-yl)-2,5-dioctyl-1H,2H,4H,5H-pyrrolo[3,4-c]pyrrole-1,4-dione
Other name (1)：
  • 3,6-Bis(2,2′:5′,2′′-terthiophene-5-yl)-2,5-dioctylpyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
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