Chem
J-GLOBAL ID:200907014940319863
Nikkaji number:J1.085.799F
3,3′′′-Dihexyl-5-(3,3′′′-dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl)-2,2′:5′,2′′:5′′,2′′′-quaterthiophene
3,3′′′-ジヘキシル-5-(3,3′′′-ジヘキシル-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン-5-イル)-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
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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:
C56 H66 S8
Molecular formula furigana:
C56-H66-S8
Molecular weight:
995.620
InChI:
InChI=1S/C56H66S8/c1-5-9-13-17-21-39-33-35-57-53(39)47-29-25-43(59-47)45-27-31-49(61-45)55-41(23-19-15-11-7-3)37-51(63-55)52-38-42(24-20-16-12-8-4)56(64-52)50-32-28-46(62-50)44-26-30-48(60-44)54-40(34-36-58-54)22-18-14-10-6-2/h25-38H,5-24H2,1-4H3
InChI key:
BACFFFYHBDXULF-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccsc1c1ccc(s1)c1ccc(s1)c1sc(cc1CCCCCC)c1cc(CCCCCC)c(s1)c1ccc(s1)c1ccc(s1)c1sccc1CCCCCC
Systematic name (5):
3,3′′′-ジヘキシル-5-(3,3′′′-ジヘキシル-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン-5-イル)-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
3,3′′′,4′′′′,3′′′′′′′-テトラヘキシル-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′:5′′′′′,2′′′′′′:5′′′′′′,2′′′′′′′-オクチチオフェン
5′′′-[3,3′′′-ジヘキシル-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン-5-イル]-3,3′′′-ジヘキシル-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
3-ヘキシル-5-(3-ヘキシル-5'-{3'-ヘキシル-[2,2'-ビチオフェン]-5-イル}-[2,2'-ビチオフェン]-5-イル)-5'-{3'-ヘキシル-[2,2'-ビチオフェン]-5-イル}-2,2'-ビチオフェン
3-hexyl-5-(3-hexyl-5'-{3'-hexyl-[2,2'-bithiophen]-5-yl}-[2,2'-bithiophen]-5-yl)-5'-{3'-hexyl-[2,2'-bithiophen]-5-yl}-2,2'-bithiophene
Other name (3):
3,3′′′-Dihexyl-5-(3,3′′′-dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl)-2,2′:5′,2′′:5′′,2′′′-quaterthiophene
3,3′′′,4′′′′,3′′′′′′′-Tetrahexyl-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′:5′′′′′,2′′′′′′:5′′′′′′,2′′′′′′′-octithiophene
5′′′-[3,3′′′-Dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl]-3,3′′′-dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene
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