Chem
J-GLOBAL ID：200907020939462911   Nikkaji number：J2.094.073E

6,13-Bis[(tri-tert-butylsilyl)ethynyl]-2,3-(3-thia-1-propene-1,3-diyl)-9,10-(1-thia-2-propene-1,3-diyl)pentacene

6,13-ビス[(トリ-tert-ブチルシリル)エチニル]-2,3-(3-チア-1-プロペン-1,3-ジイル)-9,10-(1-チア-2-プロペン-1,3-ジイル)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： C54H66S2Si2
Molecular formula furigana： C54-H66-S2-SI2
Molecular weight： 835.410
InChI： InChI=1S/C54H66S2Si2/c1-49(2,3)57(50(4,5)6,51(7,8)9)25-21-41-43-29-37-27-35-19-23-55-47(35)33-39(37)31-45(43)42(22-26-58(52(10,11)12,53(13,14)15)54(16,17)18)46-32-40-34-48-36(20-24-56-48)28-38(40)30-44(41)46/h19-20,23-24,27-34H,1-18H3
InChI key： SIGVRMNZJWAHOZ-UHFFFAOYSA-N
SMILES： CC(C)(C)[Si](C#Cc1c2cc3cc4ccsc4cc3cc2c(C#C[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)c2cc3cc4sccc4cc3cc12)(C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 6,13-ビス[(トリ-tert-ブチルシリル)エチニル]-2,3-(3-チア-1-プロペン-1,3-ジイル)-9,10-(1-チア-2-プロペン-1,3-ジイル)ペンタセン
  • トリ-tert-ブチル(2-{16-[2-(トリ-tert-ブチルシリル)エチニル]-8,24-ジチアヘプタシクロ[15.11.0.03,15.05,13.07,11.019,27.021,25]オクタコサ-1,3,5,7(11),9,12,14,16,18,20,22,25,27-トリデカエン-2-イル}エチニル)シラン
  • tri-tert-butyl(2-{16-[2-(tri-tert-butylsilyl)ethynyl]-8,24-dithiaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3,5,7(11),9,12,14,16,18,20,22,25,27-tridecaen-2-yl}ethynyl)silane
Other name (1)：
  • 6,13-Bis[(tri-tert-butylsilyl)ethynyl]-2,3-(3-thia-1-propene-1,3-diyl)-9,10-(1-thia-2-propene-1,3-diyl)pentacene
Thsaurus map：
Thesaurus Map

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