Chem
J-GLOBAL ID：200907012990822172
Nikkaji number：J2.532.305J
4,4′′-[3,3′-Dihexyl-2,2′-bithiophene-5,5′-diylbis(1,3-dioxoisoindoline-5,2-diyl)]bis[4′-(1-pyrenylmethyl)biphenyl]
4,4′′-[3,3′-ジヘキシル-2,2′-ビチオフェン-5,5′-ジイルビス(1,3-ジオキソイソインドリン-5,2-ジイル)]ビス[4′-(1-ピレニルメチル)ビフェニル]
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： C94H72N2O4S2
Molecular formula furigana： C94-H72-N2-O4-S2
Molecular weight： 1357.740
InChI：
InChI=1S/C94H72N2O4S2/c1-3-5-7-9-13-73-55-83(71-41-49-79-81(53-71)93(99)95(91(79)97)75-43-35-61(36-44-75)59-23-19-57(20-24-59)51-69-33-31-67-29-27-63-15-11-17-65-39-47-77(69)87(67)85(63)65)101-89(73)90-74(14-10-8-6-4-2)56-84(102-90)72-42-50-80-82(54-72)94(100)96(92(80)98)76-45-37-62(38-46-76)60-25-21-58(22-26-60)52-70-34-32-68-30-28-64-16-12-18-66-40-48-78(70)88(68)86(64)66/h11-12,15-50,53-56H,3-10,13-14,51-52H2,1-2H3
InChI key：
VBYICDRZMXEFTN-UHFFFAOYSA-N
SMILES：
CCCCCCc1cc(sc1c1sc(cc1CCCCCC)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)c1ccc(Cc2ccc3ccc4cccc5ccc2c3c45)cc1)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)c1ccc(Cc2ccc3ccc4cccc5ccc2c3c45)cc1
Systematic name (3)：
- 4,4′′-[3,3′-ジヘキシル-2,2′-ビチオフェン-5,5′-ジイルビス(1,3-ジオキソイソインドリン-5,2-ジイル)]ビス[4′-(1-ピレニルメチル)ビフェニル]
- 5-[5'-(1,3-ジオキソ-2-{4'-[(ピレン-1-イル)メチル]-[1,1'-ビフェニル]-4-イル}-2,3-ジヒドロ-1H-イソインドール-5-イル)-3,3'-ジヘキシル-[2,2'-ビチオフェン]-5-イル]-2-{4'-[(ピレン-1-イル)メチル]-[1,1'-ビフェニル]-4-イル}-2,3-ジヒドロ-1H-イソインドール-1,3-ジオン
- 5-[5'-(1,3-dioxo-2-{4'-[(pyren-1-yl)methyl]-[1,1'-biphenyl]-4-yl}-2,3-dihydro-1H-isoindol-5-yl)-3,3'-dihexyl-[2,2'-bithiophen]-5-yl]-2-{4'-[(pyren-1-yl)methyl]-[1,1'-biphenyl]-4-yl}-2,3-dihydro-1H-isoindole-1,3-dione
- 4,4′′-[3,3′-Dihexyl-2,2′-bithiophene-5,5′-diylbis(1,3-dioxoisoindoline-5,2-diyl)]bis[4′-(1-pyrenylmethyl)biphenyl]
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