Chem
J-GLOBAL ID：200907083508705169   Nikkaji number：J2.661.895I

1,1′-(p-Phenylenebisethynylene)bis[2-(phenylethynyl)-4,5-bis(dodecyloxy)benzene]

1,1′-(p-フェニレンビスエチニレン)ビス[2-(フェニルエチニル)-4,5-ビス(ドデシルオキシ)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： C86H118O4
Molecular formula furigana： C86-H118-O4
Molecular weight： 1215.886
InChI： InChI=1S/C86H118O4/c1-5-9-13-17-21-25-29-33-37-47-67-87-83-71-79(63-59-75-51-43-41-44-52-75)81(73-85(83)89-69-49-39-35-31-27-23-19-15-11-7-3)65-61-77-55-57-78(58-56-77)62-66-82-74-86(90-70-50-40-36-32-28-24-20-16-12-8-4)84(72-80(82)64-60-76-53-45-42-46-54-76)88-68-48-38-34-30-26-22-18-14-10-6-2/h41-46,51-58,71-74H,5-40,47-50,67-70H2,1-4H3
InChI key： UDAMQHPUCDDJRQ-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(C#Cc2ccccc2)c(cc1OCCCCCCCCCCCC)C#Cc1ccc(cc1)C#Cc1cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)cc1C#Cc1ccccc1
Systematic name  (4)：
  • 1,1′-(p-フェニレンビスエチニレン)ビス[2-(フェニルエチニル)-4,5-ビス(ドデシルオキシ)ベンゼン]
  • 1,1′-[1,4-フェニレンビス(2,1-エチンジイル)]ビス[3,4-ビス(ドデシルオキシ)-6-(フェニルエチニル)ベンゼン]
  • 1-[2-(4-{2-[4,5-ビス(ドデシルオキシ)-2-(2-フェニルエチニル)フェニル]エチニル}フェニル)エチニル]-4,5-ビス(ドデシルオキシ)-2-(2-フェニルエチニル)ベンゼン
  • 1-[2-(4-{2-[4,5-bis(dodecyloxy)-2-(2-phenylethynyl)phenyl]ethynyl}phenyl)ethynyl]-4,5-bis(dodecyloxy)-2-(2-phenylethynyl)benzene
Other name (2)：
  • 1,1′-(p-Phenylenebisethynylene)bis[2-(phenylethynyl)-4,5-bis(dodecyloxy)benzene]
  • 1,1′-[1,4-Phenylenebis(2,1-ethynediyl)]bis[3,4-bis(dodecyloxy)-6-(phenylethynyl)benzene]
Thsaurus map：
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