Chem
J-GLOBAL ID：200907037052878030   Nikkaji number：J1.281.133K

2,5,8,11-Tetrabutyl-3,4,9,10-tetrakis(phenylethynyl)cycloocta[1,2-b:4,3-b′:5,6-b′′:8,7-b′′′]tetrathiophene

2,5,8,11-テトラブチル-3,4,9,10-テトラキス(フェニルエチニル)シクロオクタ[1,2-b:4,3-b′:5,6-b′′:8,7-b′′′]テトラチオフェン
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： C64H56S4
Molecular formula furigana： C64-H56-S4
Molecular weight： 953.390
InChI： InChI=1S/C64H56S4/c1-5-9-33-53-49(41-37-45-25-17-13-18-26-45)57-58-50(42-38-46-27-19-14-20-28-46)54(34-10-6-2)67-63(58)64-60(52(56(68-64)36-12-8-4)44-40-48-31-23-16-24-32-48)59-51(43-39-47-29-21-15-22-30-47)55(35-11-7-3)66-62(59)61(57)65-53/h13-32H,5-12,33-36H2,1-4H3/b58-57-,60-59-,62-61-,64-63-
InChI key： RVVFXSRQHYCUAO-UNGQKCBUSA-N
SMILES： CCCCc1sc2c3sc(CCCC)c(C#Cc4ccccc4)c3c3c(sc(CCCC)c3C#Cc3ccccc3)c3sc(CCCC)c(C#Cc4ccccc4)c3c2c1C#Cc1ccccc1
Systematic name  (3)：
  • 2,5,8,11-テトラブチル-3,4,9,10-テトラキス(フェニルエチニル)シクロオクタ[1,2-b:4,3-b′:5,6-b′′:8,7-b′′′]テトラチオフェン
  • 4,9,14,19-テトラブチル-5,8,15,18-テトラキス(2-フェニルエチニル)-3,10,13,20-テトラチアペンタシクロ[15.3.0.02,6.07,11.012,16]イコサ-1(17),2(6),4,7(11),8,12(16),14,18-オクタエン
  • 4,9,14,19-tetrabutyl-5,8,15,18-tetrakis(2-phenylethynyl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaene
Other name (1)：
  • 2,5,8,11-Tetrabutyl-3,4,9,10-tetrakis(phenylethynyl)cycloocta[1,2-b:4,3-b′:5,6-b′′:8,7-b′′′]tetrathiophene
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