Chem
J-GLOBAL ID：200907022113621420
Nikkaji number：J2.064.865A
1,1′-(2,2′-Bithiophene-5,5′-diyl)bis[2-(2-thienyl)-3,4-bis(2,4,6-tri-tert-butylphenylphosphinediyl)cyclobutene]
1,1′-(2,2′-ビチオフェン-5,5′-ジイル)ビス[2-(2-チエニル)-3,4-ビス(2,4,6-トリ-tert-ブチルフェニルホスフィンジイル)シクロブテン]
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： C96H126P4S4
Molecular formula furigana： C96-H126-P4-S4
Molecular weight： 1532.200
InChI：
InChI=1S/C96H126P4S4/c1-85(2,3)55-47-59(89(13,14)15)77(60(48-55)90(16,17)18)97-81-73(69-39-37-45-101-69)75(83(81)99-79-63(93(25,26)27)51-57(87(7,8)9)52-64(79)94(28,29)30)71-43-41-67(103-71)68-42-44-72(104-68)76-74(70-40-38-46-102-70)82(98-78-61(91(19,20)21)49-56(86(4,5)6)50-62(78)92(22,23)24)84(76)100-80-65(95(31,32)33)53-58(88(10,11)12)54-66(80)96(34,35)36/h37-54H,1-36H3
InChI key：
LSEKLXGKLYGFEO-UHFFFAOYSA-N
SMILES：
CC(C)(C)c1cc(c(P=C2C(=C(c3ccc(s3)c3ccc(s3)C3=C(c4cccs4)C(=Pc4c(cc(cc4C(C)(C)C)C(C)(C)C)C(C)(C)C)C3=Pc3c(cc(cc3C(C)(C)C)C(C)(C)C)C(C)(C)C)C2=Pc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)c2cccs2)c(c1)C(C)(C)C)C(C)(C)C
Systematic name (3)：
- 1,1′-(2,2′-ビチオフェン-5,5′-ジイル)ビス[2-(2-チエニル)-3,4-ビス(2,4,6-トリ-tert-ブチルフェニルホスフィンジイル)シクロブテン]
- [2-(チオフェン-2-イル)-3-{5'-[2-(チオフェン-2-イル)-3,4-ビス[(2,4,6-トリ-tert-ブチルフェニル)ホスファニリデン]シクロブタ-1-エン-1-イル]-[2,2'-ビチオフェン]-5-イル}-4-[(2,4,6-トリ-tert-ブチルフェニル)ホスファニリデン]シクロブタ-2-エン-1-イリデン](2,4,6-トリ-tert-ブチルフェニル)ホスファン
- [2-(thiophen-2-yl)-3-{5'-[2-(thiophen-2-yl)-3,4-bis[(2,4,6-tri-tert-butylphenyl)phosphanylidene]cyclobut-1-en-1-yl]-[2,2'-bithiophen]-5-yl}-4-[(2,4,6-tri-tert-butylphenyl)phosphanylidene]cyclobut-2-en-1-ylidene](2,4,6-tri-tert-butylphenyl)phosphane
- 1,1′-(2,2′-Bithiophene-5,5′-diyl)bis[2-(2-thienyl)-3,4-bis(2,4,6-tri-tert-butylphenylphosphinediyl)cyclobutene]
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