Chem
J-GLOBAL ID：200907070768360462   Nikkaji number：J1.347.736A

1,3,5-Tris[4-[4-[4-(acetylthio)phenylethynyl]phenylethynyl]phenylethynyl]benzene

1,3,5-トリス[4-[4-[4-(アセチルチオ)フェニルエチニル]フェニルエチニル]フェニルエチニル]ベンゼン
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： C84H48O3S3
Molecular formula furigana： C84-H48-O3-S3
Molecular weight： 1201.490
InChI： InChI=1S/C84H48O3S3/c1-61(85)88-82-52-46-76(47-53-82)37-34-70-16-10-64(11-17-70)4-7-67-22-28-73(29-23-67)40-43-79-58-80(44-41-74-30-24-68(25-31-74)8-5-65-12-18-71(19-13-65)35-38-77-48-54-83(55-49-77)89-62(2)86)60-81(59-79)45-42-75-32-26-69(27-33-75)9-6-66-14-20-72(21-15-66)36-39-78-50-56-84(57-51-78)90-63(3)87/h10-33,46-60H,1-3H3
InChI key： BDSPNAJXKPZMJI-UHFFFAOYSA-N
SMILES： CC(=O)Sc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc(cc(c1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(SC(=O)C)cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(SC(=O)C)cc1
Systematic name  (3)：
  • 1,3,5-トリス[4-[4-[4-(アセチルチオ)フェニルエチニル]フェニルエチニル]フェニルエチニル]ベンゼン
  • 1-{[4-(2-{4-[2-(4-{2-[3,5-ビス(2-{4-[2-(4-{2-[4-(アセチルスルファニル)フェニル]エチニル}フェニル)エチニル]フェニル}エチニル)フェニル]エチニル}フェニル)エチニル]フェニル}エチニル)フェニル]スルファニル}エタン-1-オン
  • 1-{[4-(2-{4-[2-(4-{2-[3,5-bis(2-{4-[2-(4-{2-[4-(acetylsulfanyl)phenyl]ethynyl}phenyl)ethynyl]phenyl}ethynyl)phenyl]ethynyl}phenyl)ethynyl]phenyl}ethynyl)phenyl]sulfanyl}ethan-1-one
Other name (1)：
  • 1,3,5-Tris[4-[4-[4-(acetylthio)phenylethynyl]phenylethynyl]phenylethynyl]benzene
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