Chem
J-GLOBAL ID：201807016210807890
Nikkaji number：J3.710.710G
6,6′-(1,2-Phenylenebisethynylene)bis[13-(triisobutylsilylethynyl)pentacene]
6,6′-(1,2-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 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： 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)39-37-73-79-45-67-29-19-15-25-63(67)41-75(79)71(76-42-64-26-16-20-30-68(64)46-80(73)76)35-33-61-23-13-14-24-62(61)34-36-72-77-43-65-27-17-21-31-69(65)47-81(77)74(82-48-70-32-22-18-28-66(70)44-78(72)82)38-40-84(52-58(7)8,53-59(9)10)54-60(11)12/h13-32,41-48,55-60H,49-54H2,1-12H3
InChI key：
IEPNVCRZVDUASM-UHFFFAOYSA-N
SMILES：
CC(C)C[Si](CC(C)C)(CC(C)C)C#Cc1c2cc3ccccc3cc2c(C#Cc2ccccc2C#Cc2c3cc4ccccc4cc3c(C#C[Si](CC(C)C)(CC(C)C)CC(C)C)c3cc4ccccc4cc23)c2cc3ccccc3cc12
Systematic name (3)：
- 6,6′-(1,2-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-{2-[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-{2-[2-(13-{2-[tris(2-methylpropyl)silyl]ethynyl}pentacen-6-yl)ethynyl]phenyl}ethynyl)pentacen-6-yl]ethynyl})silane
- 6,6′-(1,2-Phenylenebisethynylene)bis[13-(triisobutylsilylethynyl)pentacene]
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