Chem
J-GLOBAL ID：200907024677794930   Nikkaji number：J2.094.071I

6,13-Bis[(tri-tert-butylsilyl)ethynyl]-2,3:9,10-bis(epithioetheno)pentacene

6,13-ビス[(トリ-tert-ブチルシリル)エチニル]-2,3:9,10-ビス(エピチオエテノ)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)25-21-41-43-29-37-27-35-19-23-56-48(35)34-40(37)32-46(43)42(22-26-58(52(10,11)12,53(13,14)15)54(16,17)18)44-30-38-28-36-20-24-55-47(36)33-39(38)31-45(41)44/h19-20,23-24,27-34H,1-18H3
InChI key： IHTIKJNPHOZXCR-UHFFFAOYSA-N
SMILES： CC(C)(C)[Si](C#Cc1c2cc3cc4ccsc4cc3cc2c(C#C[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)c2cc3cc4ccsc4cc3cc12)(C(C)(C)C)C(C)(C)C
Systematic name  (4)：
  • 6,13-ビス[(トリ-tert-ブチルシリル)エチニル]-2,3-(1-チア-2-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
  • 6,13-ビス[(トリ-tert-ブチルシリル)エチニル]-2,3:9,10-ビス(エピチオエテノ)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]-8,22-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(28),2,4,6,9,11,13,15,17,19,21(25),23,26-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]-8,22-dithiaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1(28),2,4,6,9,11,13,15,17,19,21(25),23,26-tridecaen-2-yl}ethynyl)silane
Other name (2)：
  • 6,13-Bis[(tri-tert-butylsilyl)ethynyl]-2,3-(1-thia-2-propene-1,3-diyl)-9,10-(1-thia-2-propene-1,3-diyl)pentacene
  • 6,13-Bis[(tri-tert-butylsilyl)ethynyl]-2,3:9,10-bis(epithioetheno)pentacene
Thsaurus map：
Thesaurus Map

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