Chem
J-GLOBAL ID：200907097660789077   Nikkaji number：J2.091.022D

1,2-[Octamethylenebis(thiophene-2,5-diyl)]-3,4-bis(2,4,6-tri-tert-butylphenylphosphinidene)-1-cyclobutene

1,2-[オクタメチレンビス(チオフェン-2,5-ジイル)]-3,4-ビス(2,4,6-トリ-tert-ブチルフェニルホスフィニデン)-1-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： C56H78P2S2
Molecular formula furigana： C56-H78-P2-S2
Molecular weight： 877.310
InChI： InChI=1S/C56H78P2S2/c1-51(2,3)35-31-39(53(7,8)9)47(40(32-35)54(10,11)12)57-49-45-43-29-27-37(59-43)25-23-21-19-20-22-24-26-38-28-30-44(60-38)46(45)50(49)58-48-41(55(13,14)15)33-36(52(4,5)6)34-42(48)56(16,17)18/h27-34H,19-26H2,1-18H3
InChI key： MJAAOKLDBRCKBG-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc(c(P=C2C3=C(c4ccc(CCCCCCCCc5ccc3s5)s4)C2=Pc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 1,2-[オクタメチレンビス(チオフェン-2,5-ジイル)]-3,4-ビス(2,4,6-トリ-tert-ブチルフェニルホスフィニデン)-1-シクロブテン
  • (2,4,6-トリ-tert-ブチルフェニル)({4-[(2,4,6-トリ-tert-ブチルフェニル)ホスファニリデン]-21,22-ジチアテトラシクロ[16.2.1.16,9.02,5]ドコサ-1(20),2(5),6,8,18-ペンタエン-3-イリデン})ホスファン
  • (2,4,6-tri-tert-butylphenyl)({4-[(2,4,6-tri-tert-butylphenyl)phosphanylidene]-21,22-dithiatetracyclo[16.2.1.16,9.02,5]docosa-1(20),2(5),6,8,18-pentaen-3-ylidene})phosphane
Other name (1)：
  • 1,2-[Octamethylenebis(thiophene-2,5-diyl)]-3,4-bis(2,4,6-tri-tert-butylphenylphosphinidene)-1-cyclobutene
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