Chem
J-GLOBAL ID：201607013960472659   Nikkaji number：J3.493.181J

2,2′-(1,4-Phenylene)bis[6,13-bis(triisopropylsilylethynyl)pentacene]

2,2′-(1,4-フェニレン)ビス[6,13-ビス(トリイソプロピルシリルエチニル)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： C94H110Si4
Molecular formula furigana： C94-H110-SI4
Molecular weight： 1352.254
InChI： InChI=1S/C94H110Si4/c1-59(2)95(60(3)4,61(5)6)45-41-83-87-51-73-29-25-27-31-75(73)53-89(87)85(43-47-97(65(13)14,66(15)16)67(17)18)93-57-81-49-77(37-39-79(81)55-91(83)93)71-33-35-72(36-34-71)78-38-40-80-56-92-84(42-46-96(62(7)8,63(9)10)64(11)12)88-52-74-30-26-28-32-76(74)54-90(88)86(94(92)58-82(80)50-78)44-48-98(68(19)20,69(21)22)70(23)24/h25-40,49-70H,1-24H3
InChI key： METKSVAIEWLQMT-UHFFFAOYSA-N
SMILES： CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3cc(ccc3cc12)c1ccc(cc1)c1ccc2cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c4cc5ccccc5cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc2c1)(C(C)C)C(C)C
Systematic name  (3)：
  • 2,2′-(1,4-フェニレン)ビス[6,13-ビス(トリイソプロピルシリルエチニル)ペンタセン]
  • [2-(3-{4-[6,13-ビス({2-[トリス(プロパン-2-イル)シリル]エチニル})ペンタセン-2-イル]フェニル}-13-{2-[トリス(プロパン-2-イル)シリル]エチニル}ペンタセン-6-イル)エチニル]トリス(プロパン-2-イル)シラン
  • [2-(3-{4-[6,13-bis({2-[tris(propan-2-yl)silyl]ethynyl})pentacen-2-yl]phenyl}-13-{2-[tris(propan-2-yl)silyl]ethynyl}pentacen-6-yl)ethynyl]tris(propan-2-yl)silane
Other name (1)：
  • 2,2′-(1,4-Phenylene)bis[6,13-bis(triisopropylsilylethynyl)pentacene]
Thsaurus map：
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