Chem
J-GLOBAL ID:200907041403465907   Nikkaji number:J2.740.172D

3,4′-Dithio-3′,4′′-dithio-3′′,4-dithiotris(2,5-diphenylthiophene)

3,4′-ジチオ-3′,4′′-ジチオ-3′′,4-ジチオトリス(2,5-ジフェニルチオフェン)
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: C48H30S9
Molecular formula furigana: C48-H30-S9
Molecular weight: 895.310
InChI: InChI=1S/C48H30S9/c1-7-19-31(20-8-1)37-43-44(38(49-37)32-21-9-2-10-22-32)53-55-47-41(35-27-15-5-16-28-35)51-42(36-29-17-6-18-30-36)48(47)57-56-46-40(34-25-13-4-14-26-34)50-39(45(46)54-52-43)33-23-11-3-12-24-33/h1-30H
InChI key: VHVQXMYKDQZNNJ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c1sc(c2ccccc2)c2ssc3c(sc(c4ccccc4)c3ssc3c(sc(c4ccccc4)c3ssc12)c1ccccc1)c1ccccc1
Systematic name  (4):
  • 5,7,12,14,19,21-ヘキサフェニル-2,3,6,9,10,13,16,17,20-ノナチアテトラシクロ[16.3.0.04,8.011,15]ヘニコサン-1(21),4,7,11,14,18-ヘキサエン
  • 3,4′-ジチオ-3′,4′′-ジチオ-3′′,4-ジチオトリス(2,5-ジフェニルチオフェン)
  • ヘキサフェニル-2,3,6,9,10,13,16,17,20-ノナチアテトラシクロ[16.3.0.04,8.011,15]ヘンイコサ-1(21),4,7,11,14,18-ヘキサエン
  • hexaphenyl-2,3,6,9,10,13,16,17,20-nonathiatetracyclo[16.3.0.04,8.011,15]henicosa-1(21),4,7,11,14,18-hexaene
Other name (2):
  • 5,7,12,14,19,21-Hexaphenyl-2,3,6,9,10,13,16,17,20-nonathiatetracyclo[16.3.0.04,8.011,15]henicosane-1(21),4,7,11,14,18-hexaene
  • 3,4′-Dithio-3′,4′′-dithio-3′′,4-dithiotris(2,5-diphenylthiophene)
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