Chem
J-GLOBAL ID：201407092056457692   Nikkaji number：J3.286.740E

1,1′-[(2,2′-Bi(3-dodecylthiophene)-5,5′-diyl)bis(1,4-phenylene)]bis[(1Z)-3-(phenylimino)-1-propene-1-ol]

1,1′-[(2,2′-ビ(3-ドデシルチオフェン)-5,5′-ジイル)ビス(1,4-フェニレン)]ビス[(1Z)-3-(フェニルイミノ)-1-プロペン-1-オール]
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： C62H76N2O2S2
Molecular formula furigana： C62-H76-N2-O2-S2
Molecular weight： 945.420
InChI： InChI=1S/C62H76N2O2S2/c1-3-5-7-9-11-13-15-17-19-23-29-53-47-59(51-39-35-49(36-40-51)57(65)43-45-63-55-31-25-21-26-32-55)67-61(53)62-54(30-24-20-18-16-14-12-10-8-6-4-2)48-60(68-62)52-41-37-50(38-42-52)58(66)44-46-64-56-33-27-22-28-34-56/h21-22,25-28,31-48,65-66H,3-20,23-24,29-30H2,1-2H3/b57-43-,58-44-,63-45?,64-46?
InChI key： JWMPWNBWUXXCRM-ZIVMBJDFSA-N
SMILES： CCCCCCCCCCCCc1cc(sc1c1sc(cc1CCCCCCCCCCCC)c1ccc(cc1)/C(=C/C=Nc1ccccc1)/O)c1ccc(cc1)/C(=C/C=Nc1ccccc1)/O
Systematic name  (3)：
  • 1,1′-[(2,2′-ビ(3-ドデシルチオフェン)-5,5′-ジイル)ビス(1,4-フェニレン)]ビス[(1Z)-3-(フェニルイミノ)-1-プロペン-1-オール]
  • (1Z)-1-[4-(3,3'-ジドデシル-5'-{4-[(1Z)-1-ヒドロキシ-3-(フェニルイミノ)プロパ-1-エン-1-イル]フェニル}-[2,2'-ビチオフェン]-5-イル)フェニル]-3-(フェニルイミノ)プロパ-1-エン-1-オール
  • (1Z)-1-[4-(3,3'-didodecyl-5'-{4-[(1Z)-1-hydroxy-3-(phenylimino)prop-1-en-1-yl]phenyl}-[2,2'-bithiophen]-5-yl)phenyl]-3-(phenylimino)prop-1-en-1-ol
Other name (1)：
  • 1,1′-[(2,2′-Bi(3-dodecylthiophene)-5,5′-diyl)bis(1,4-phenylene)]bis[(1Z)-3-(phenylimino)-1-propene-1-ol]
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