Chem
J-GLOBAL ID:200907018630799186   Nikkaji number:J2.611.976F

4,4′-[(4,4,5,5,6,6-Hexafluoro-2,8-diphenyl-5,6-dihydro-1,9-dithia-4H-cyclopenta[e]-as-indacene-9a,9b-diyl)bisethylene]bis(1-methylpyridinium)

4,4′-[(4,4,5,5,6,6-ヘキサフルオロ-2,8-ジフェニル-5,6-ジヒドロ-1,9-ジチア-4H-シクロペンタ[e]-as-インダセン-9a,9b-ジイル)ビスエチレン]ビス(1-メチルピリジニウム)
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: C41H34F6[N+]2S2
Molecular formula furigana: C41-H34-F6-N2-S2
Molecular weight: 732.850
InChI: InChI=1S/C41H34F6N2S2/c1-48-21-15-27(16-22-48)13-19-37-31(25-33(50-37)29-9-5-3-6-10-29)35-36(40(44,45)41(46,47)39(35,42)43)32-26-34(30-11-7-4-8-12-30)51-38(32,37)20-14-28-17-23-49(2)24-18-28/h3-12,15-18,21-26H,13-14,19-20H2,1-2H3/q+2
InChI key: VHLVXUQOFSKQOY-UHFFFAOYSA-N
SMILES: C[n+]1ccc(CCC23SC(=CC2=C2C(=C4C=C(SC34CCc3cc[n+](C)cc3)c3ccccc3)C(F)(F)C(F)(F)C2(F)F)c2ccccc2)cc1
Systematic name  (3):
  • 4,4′-[(4,4,5,5,6,6-ヘキサフルオロ-2,8-ジフェニル-5,6-ジヒドロ-1,9-ジチア-4H-シクロペンタ[e]-as-インダセン-9a,9b-ジイル)ビスエチレン]ビス(1-メチルピリジニウム)
  • 4-(2-{8,8,9,9,10,10-ヘキサフルオロ-2-[2-(1-メチルピリジン-1-イウム-4-イル)エチル]-4,14-ジフェニル-3,15-ジチアテトラシクロ[10.3.0.02,6.07,11]ペンタデカ-4,6,11,13-テトラエン-1-イル}エチル)-1-メチルピリジン-1-イウム
  • 4-(2-{8,8,9,9,10,10-hexafluoro-2-[2-(1-methylpyridin-1-ium-4-yl)ethyl]-4,14-diphenyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-1-yl}ethyl)-1-methylpyridin-1-ium
Other name (1):
  • 4,4′-[(4,4,5,5,6,6-Hexafluoro-2,8-diphenyl-5,6-dihydro-1,9-dithia-4H-cyclopenta[e]-as-indacene-9a,9b-diyl)bisethylene]bis(1-methylpyridinium)
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