Chem
J-GLOBAL ID：201807018226625484   Nikkaji number：J3.710.711E

6,6′-(1,3-Phenylenebisethynylene)bis[13-(triisobutylsilylethynyl)pentacene]

6,6′-(1,3-フェニレンビスエチニレン)ビス[13-(トリイソブチルシリルエチニル)ペンタセン]
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： C82H82Si2
Molecular formula furigana： C82-H82-SI2
Molecular weight： 1123.728
InChI： InChI=1S/C82H82Si2/c1-55(2)49-83(50-56(3)4,51-57(5)6)38-36-73-79-45-67-28-17-13-24-63(67)41-75(79)71(76-42-64-25-14-18-29-68(64)46-80(73)76)34-32-61-22-21-23-62(40-61)33-35-72-77-43-65-26-15-19-30-69(65)47-81(77)74(82-48-70-31-20-16-27-66(70)44-78(72)82)37-39-84(52-58(7)8,53-59(9)10)54-60(11)12/h13-31,40-48,55-60H,49-54H2,1-12H3
InChI key： BEIOVAPYEOIVEM-UHFFFAOYSA-N
SMILES： CC(C)C[Si](CC(C)C)(CC(C)C)C#Cc1c2cc3ccccc3cc2c(C#Cc2cccc(c2)C#Cc2c3cc4ccccc4cc3c(C#C[Si](CC(C)C)(CC(C)C)CC(C)C)c3cc4ccccc4cc23)c2cc3ccccc3cc12
Systematic name  (3)：
  • 6,6′-(1,3-フェニレンビスエチニレン)ビス[13-(トリイソブチルシリルエチニル)ペンタセン]
  • トリス(2-メチルプロピル)({2-[13-(2-{3-[2-(13-{2-[トリス(2-メチルプロピル)シリル]エチニル}ペンタセン-6-イル)エチニル]フェニル}エチニル)ペンタセン-6-イル]エチニル})シラン
  • tris(2-methylpropyl)({2-[13-(2-{3-[2-(13-{2-[tris(2-methylpropyl)silyl]ethynyl}pentacen-6-yl)ethynyl]phenyl}ethynyl)pentacen-6-yl]ethynyl})silane
Other name (1)：
  • 6,6′-(1,3-Phenylenebisethynylene)bis[13-(triisobutylsilylethynyl)pentacene]
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