Chem
J-GLOBAL ID：200907035153704099
Nikkaji number：J2.081.618J
[3,3′-Bis(4-methylphenyl)-4,4′-diphenyl-Δ2,2′(5H,5′H)-bithiophene-5,5′-diylidene]bis[bis(4-methylphenyl)aminium]
3,N3',N5,N5,N5',5'-ヘキサキス(4-メチルフェニル)-4,4'-ジフェニル-5H,5'H-[2,2'-ビチオフェニリデン]-5,5'-ビス(イミニウム)
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： C62H52[N+]2S2
Molecular formula furigana： C62-H52-N2-S2
Molecular weight： 889.230
InChI：
InChI=1S/C62H52N2S2/c1-41-17-29-49(30-18-41)55-57(47-13-9-7-10-14-47)61(63(51-33-21-43(3)22-34-51)52-35-23-44(4)24-36-52)65-59(55)60-56(50-31-19-42(2)20-32-50)58(48-15-11-8-12-16-48)62(66-60)64(53-37-25-45(5)26-38-53)54-39-27-46(6)28-40-54/h7-40H,1-6H3/q+2
InChI key：
PFMOCNYYXHUWTB-UHFFFAOYSA-N
SMILES：
Cc1ccc(cc1)C1=C(C(=[N+](c2ccc(C)cc2)c2ccc(C)cc2)SC1=C1SC(=[N+](c2ccc(C)cc2)c2ccc(C)cc2)C(=C1c1ccc(C)cc1)c1ccccc1)c1ccccc1
Systematic name (3)：
- [3,3′-ビス(4-メチルフェニル)-4,4′-ジフェニル-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]
- 3,N3',N5,N5,N5',5'-ヘキサキス(4-メチルフェニル)-4,4'-ジフェニル-5H,5'H-[2,2'-ビチオフェニリデン]-5,5'-ビス(イミニウム)
- 3,N3',N5,N5,N5',5'-hexakis(4-methylphenyl)-4,4'-diphenyl-5H,5'H-[2,2'-bithiophenylidene]-5,5'-bis(iminium)
- [3,3′-Bis(4-methylphenyl)-4,4′-diphenyl-Δ2,2′(5H,5′H)-bithiophene-5,5′-diylidene]bis[bis(4-methylphenyl)aminium]
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