Chem
J-GLOBAL ID:201407061061457592
Nikkaji number:J3.278.144F
2,5-Bis(2-decyldodecyl)-3-[5′-[2-(2,2′-bithiophene-5-yl)ethenyl]-2,2′-bithiophene-5-yl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
2,5-ビス(2-デシルドデシル)-3-[5′-[2-(2,2′-ビチオフェン-5-イル)エテニル]-2,2′-ビチオフェン-5-イル]-2,5-ジヒドロピロロ[3,4-c]ピロール-1,4-ジオン
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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:
C68 H102 N2 O2 S4
Molecular formula furigana:
C68-H102-N2-O2-S4
Molecular weight:
1107.820
InChI:
InChI=1S/C68H102N2O2S4/c1-5-9-13-17-21-25-29-33-38-55(39-34-30-26-22-18-14-10-6-2)52-69-54-59-65(68(69)72)66(64-50-49-63(76-64)62-48-46-58(75-62)44-43-57-45-47-61(74-57)60-42-37-51-73-60)70(67(59)71)53-56(40-35-31-27-23-19-15-11-7-3)41-36-32-28-24-20-16-12-8-4/h37,42-51,54-56H,5-36,38-41,52-53H2,1-4H3
InChI key:
CPWKZTRWAKDIAJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(CCCCCCCCCC)Cn1cc2c(=O)n(CC(CCCCCCCCCC)CCCCCCCCCC)c(c2c1=O)c1ccc(s1)c1ccc(C=Cc2ccc(s2)c2cccs2)s1
Systematic name (3):
2,5-ビス(2-デシルドデシル)-3-[5′-[2-(2,2′-ビチオフェン-5-イル)エテニル]-2,2′-ビチオフェン-5-イル]-2,5-ジヒドロピロロ[3,4-c]ピロール-1,4-ジオン
3-[5'-(2-{[2,2'-ビチオフェン]-5-イル}エテニル)-[2,2'-ビチオフェン]-5-イル]-2,5-ビス(2-デシルドデシル)-1H,2H,4H,5H-ピロロ[3,4-c]ピロール-1,4-ジオン
3-[5'-(2-{[2,2'-bithiophen]-5-yl}ethenyl)-[2,2'-bithiophen]-5-yl]-2,5-bis(2-decyldodecyl)-1H,2H,4H,5H-pyrrolo[3,4-c]pyrrole-1,4-dione
Other name (1):
2,5-Bis(2-decyldodecyl)-3-[5′-[2-(2,2′-bithiophene-5-yl)ethenyl]-2,2′-bithiophene-5-yl]-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
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