Chem
J-GLOBAL ID：200907022133437685
Nikkaji number：J2.050.150B
5-[5′′′-[5′′′-[3,3′′′-Dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl]-3,3′′′-dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl]-3,3′′′-dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl]isophthalaldehyde
5-[5′′′-[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-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-5-イル]イソフタルアルデヒド
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
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
Molecular formula： C92H102O2S12
Molecular formula furigana： C92-H102-O2-S12
Molecular weight： 1624.550
InChI：
InChI=1S/C92H102O2S12/c1-7-13-19-25-31-63-49-50-95-87(63)76-43-37-70(96-76)71-39-45-78(98-71)89-65(33-27-21-15-9-3)55-83(103-89)84-57-67(35-29-23-17-11-5)91(105-84)80-47-41-74(100-80)75-42-48-81(101-75)92-68(36-30-24-18-12-6)58-86(106-92)85-56-66(34-28-22-16-10-4)90(104-85)79-46-40-73(99-79)72-38-44-77(97-72)88-64(32-26-20-14-8-2)54-82(102-88)69-52-61(59-93)51-62(53-69)60-94/h37-60H,7-36H2,1-6H3
InChI key：
UNVPCIXCYVGXPB-UHFFFAOYSA-N
SMILES：
CCCCCCc1ccsc1c1ccc(s1)c1ccc(s1)c1sc(cc1CCCCCC)c1cc(CCCCCC)c(s1)c1ccc(s1)c1ccc(s1)c1sc(cc1CCCCCC)c1cc(CCCCCC)c(s1)c1ccc(s1)c1ccc(s1)c1sc(cc1CCCCCC)c1cc(C=O)cc(C=O)c1
Systematic name (3)：
- 5-[5′′′-[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-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-5-イル]イソフタルアルデヒド
- 5-[3-ヘキシル-5'-(3'-ヘキシル-5'-{3-ヘキシル-5'-[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)-[2,2'-ビチオフェン]-5-イル]-[2,2'-ビチオフェン]-5-イル}-[2,2'-ビチオフェン]-5-イル)-[2,2'-ビチオフェン]-5-イル]ベンゼン-1,3-ジカルバルデヒド
- 5-[3-hexyl-5'-(3'-hexyl-5'-{3-hexyl-5'-[3'-hexyl-5'-(3-hexyl-5'-{3'-hexyl-[2,2'-bithiophen]-5-yl}-[2,2'-bithiophen]-5-yl)-[2,2'-bithiophen]-5-yl]-[2,2'-bithiophen]-5-yl}-[2,2'-bithiophen]-5-yl)-[2,2'-bithiophen]-5-yl]benzene-1,3-dicarbaldehyde
- 5-[5′′′-[5′′′-[3,3′′′-Dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl]-3,3′′′-dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl]-3,3′′′-dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene-5-yl]isophthalaldehyde
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