Chem
J-GLOBAL ID:201207093228704150
Nikkaji number:J3.048.592K
1,4-Bis[2,5-diethyl-4-[4-(4-octylphenylethynyl)phenylethynyl]phenylethynyl]-2,5-dioctylbenzene
1,4-ビス[2,5-ジエチル-4-[4-(4-オクチルフェニルエチニル)フェニルエチニル]フェニルエチニル]-2,5-ジオクチルベンゼン
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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:
C94 H110
Molecular formula furigana:
C94-H110
Molecular weight:
1239.914
InChI:
InChI=1S/C94H110/c1-9-17-21-25-29-33-37-75-41-45-77(46-42-75)49-51-79-53-57-81(58-54-79)61-63-89-69-85(15-7)91(71-83(89)13-5)65-67-93-73-88(40-36-32-28-24-20-12-4)94(74-87(93)39-35-31-27-23-19-11-3)68-66-92-72-84(14-6)90(70-86(92)16-8)64-62-82-59-55-80(56-60-82)52-50-78-47-43-76(44-48-78)38-34-30-26-22-18-10-2/h41-48,53-60,69-74H,9-40H2,1-8H3
InChI key:
YEWIFOGWADNDNZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc(CC)c(cc1CC)C#Cc1cc(CCCCCCCC)c(cc1CCCCCCCC)C#Cc1cc(CC)c(cc1CC)C#Cc1ccc(cc1)C#Cc1ccc(CCCCCCCC)cc1
Systematic name (3):
1,4-ビス[2,5-ジエチル-4-[4-(4-オクチルフェニルエチニル)フェニルエチニル]フェニルエチニル]-2,5-ジオクチルベンゼン
1-[2-(4-{2-[2,5-ジエチル-4-(2-{4-[2-(4-オクチルフェニル)エチニル]フェニル}エチニル)フェニル]エチニル}-2,5-ジオクチルフェニル)エチニル]-2,5-ジエチル-4-(2-{4-[2-(4-オクチルフェニル)エチニル]フェニル}エチニル)ベンゼン
1-[2-(4-{2-[2,5-diethyl-4-(2-{4-[2-(4-octylphenyl)ethynyl]phenyl}ethynyl)phenyl]ethynyl}-2,5-dioctylphenyl)ethynyl]-2,5-diethyl-4-(2-{4-[2-(4-octylphenyl)ethynyl]phenyl}ethynyl)benzene
Other name (1):
1,4-Bis[2,5-diethyl-4-[4-(4-octylphenylethynyl)phenylethynyl]phenylethynyl]-2,5-dioctylbenzene
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