Chem
J-GLOBAL ID：200907085874658630
Nikkaji number：J2.081.614G
4,4′-(3,3′,4,4′-Tetraphenyl-Δ2,2′(5H,5′H)-bithiophene-5,5′-diylidene)bis(morpholine-4-ium)
4,4′-(3,3′,4,4′-テトラフェニル-Δ2,2′(5H,5′H)-ビチオフェン-5,5′-ジイリデン)ビス(モルホリン-4-イウム)
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
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
Molecular formula： C40H36[N+]2O2S2
Molecular formula furigana： C40-H36-N2-O2-S2
Molecular weight： 640.860
InChI：
InChI=1S/C40H36N2O2S2/c1-5-13-29(14-6-1)33-35(31-17-9-3-10-18-31)39(41-21-25-43-26-22-41)45-37(33)38-34(30-15-7-2-8-16-30)36(32-19-11-4-12-20-32)40(46-38)42-23-27-44-28-24-42/h1-20H,21-28H2/q+2
InChI key：
XROOWQDFWWEDEG-UHFFFAOYSA-N
SMILES：
C1C[N+](=C2SC(=C3SC(=[N+]4CCOCC4)C(=C3c3ccccc3)c3ccccc3)C(=C2c2ccccc2)c2ccccc2)CCO1
Systematic name (3)：
- 4,4′-(3,3′,4,4′-テトラフェニル-Δ2,2′(5H,5′H)-ビチオフェン-5,5′-ジイリデン)ビス(モルホリン-4-イウム)
- 4-[3,3',4,4'-テトラフェニル-5'-(4λ5-モルホリン-4-イリウム-4-イリデン)-5H,5'H-[2,2'-ビチオフェニリデン]-5-イリデン]-4λ5-モルホリン-4-イリウム
- 4-[3,3',4,4'-tetraphenyl-5'-(4λ5-morpholin-4-ylium-4-ylidene)-5H,5'H-[2,2'-bithiophenyliden]-5-ylidene]-4λ5-morpholin-4-ylium
- 4,4′-(3,3′,4,4′-Tetraphenyl-Δ2,2′(5H,5′H)-bithiophene-5,5′-diylidene)bis(morpholine-4-ium)
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