Chem
J-GLOBAL ID:200907050001902137   Nikkaji number:J2.524.048K

2,2′-(2,2′-Bithiophene-5,5′-diyl)bis[1-(2-thienyl)-3,4-bis[(mesityl)phosphinidene]cyclobutene]

2,2′-(2,2′-ビチオフェン-5,5′-ジイル)ビス[1-(2-チエニル)-3,4-ビス[(メシチル)ホスフィニデン]シクロブテン]
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: C60H54P4S4
Molecular formula furigana: C60-H54-P4-S4
Molecular weight: 1027.230
InChI: InChI=1S/C60H54P4S4/c1-31-23-35(5)53(36(6)24-31)61-57-49(45-15-13-21-65-45)51(59(57)63-55-39(9)27-33(3)28-40(55)10)47-19-17-43(67-47)44-18-20-48(68-44)52-50(46-16-14-22-66-46)58(62-54-37(7)25-32(2)26-38(54)8)60(52)64-56-41(11)29-34(4)30-42(56)12/h13-30H,1-12H3
InChI key: JKFVKXFHYPTCDN-UHFFFAOYSA-N
SMILES: Cc1cc(C)c(P=C2C(=C(c3ccc(s3)c3ccc(s3)C3=C(c4cccs4)C(=Pc4c(C)cc(C)cc4C)C3=Pc3c(C)cc(C)cc3C)C2=Pc2c(C)cc(C)cc2C)c2cccs2)c(C)c1
Systematic name  (3):
  • 2,2′-(2,2′-ビチオフェン-5,5′-ジイル)ビス[1-(2-チエニル)-3,4-ビス[(メシチル)ホスフィニデン]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-トリメチルフェニル)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-トリメチルフェニル)ホスファニリデン]シクロブタ-2-エン-1-イリデン](2,4,6-トリメチルフェニル)ホスファン
  • [2-(thiophen-2-yl)-3-{5'-[2-(thiophen-2-yl)-3,4-bis[(2,4,6-trimethylphenyl)phosphanylidene]cyclobut-1-en-1-yl]-[2,2'-bithiophen]-5-yl}-4-[(2,4,6-trimethylphenyl)phosphanylidene]cyclobut-2-en-1-ylidene](2,4,6-trimethylphenyl)phosphane
Other name (1):
  • 2,2′-(2,2′-Bithiophene-5,5′-diyl)bis[1-(2-thienyl)-3,4-bis[(mesityl)phosphinidene]cyclobutene]
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