Chem
J-GLOBAL ID：200907033154943078
Nikkaji number：J2.081.617A
[3,3′,4,4′-Tetraphenyl-Δ2,2′(5H,5′H)-bithiophene-5,5′-diylidene]bis[bis(4-methylphenyl)aminium]
[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[ビス(4-メチルフェニル)アミニウム]
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： C60H48[N+]2S2
Molecular formula furigana： C60-H48-N2-S2
Molecular weight： 861.180
InChI：
InChI=1S/C60H48N2S2/c1-41-25-33-49(34-26-41)61(50-35-27-42(2)28-36-50)59-55(47-21-13-7-14-22-47)53(45-17-9-5-10-18-45)57(63-59)58-54(46-19-11-6-12-20-46)56(48-23-15-8-16-24-48)60(64-58)62(51-37-29-43(3)30-38-51)52-39-31-44(4)32-40-52/h5-40H,1-4H3/q+2
InChI key：
SHZLRXVONQMPPD-UHFFFAOYSA-N
SMILES：
Cc1ccc(cc1)[N+](=C1SC(=C2SC(=[N+](c3ccc(C)cc3)c3ccc(C)cc3)C(=C2c2ccccc2)c2ccccc2)C(=C1c1ccccc1)c1ccccc1)c1ccc(C)cc1
Systematic name (3)：
- [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[ビス(4-メチルフェニル)アミニウム]
- N5,N5,N5',N5'-テトラキス(4-メチルフェニル)-3,3',4,4'-テトラフェニル-5H,5'H-[2,2'-ビチオフェニリデン]-5,5'-ビス(イミニウム)
- N5,N5,N5',N5'-tetrakis(4-methylphenyl)-3,3',4,4'-tetraphenyl-5H,5'H-[2,2'-bithiophenylidene]-5,5'-bis(iminium)
- [3,3′,4,4′-Tetraphenyl-Δ2,2′(5H,5′H)-bithiophene-5,5′-diylidene]bis[bis(4-methylphenyl)aminium]
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