Chem
J-GLOBAL ID：201507042007428873   Nikkaji number：J3.385.722E

3,3′-[(1,3-Phenylene)bis(1,3-phenylene)bis(1,3-phenylene)bis(1,3-phenylene)]biphenyl

3,3′-[(1,3-フェニレン)ビス(1,3-フェニレン)ビス(1,3-フェニレン)ビス(1,3-フェニレン)]ビフェニル
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： C54H36
Molecular formula furigana： C54-H36
Molecular weight： 684.882
InChI： InChI=1S/C54H36/c1-10-37-28-38(11-1)40-13-3-15-42(30-40)44-17-5-19-46(32-44)48-21-7-23-50(34-48)52-25-9-27-54(36-52)53-26-8-24-51(35-53)49-22-6-20-47(33-49)45-18-4-16-43(31-45)41-14-2-12-39(37)29-41/h1-36H
InChI key： NIMOWTYKEVZODG-UHFFFAOYSA-N
SMILES： c1cc2cc(c1)c1cccc(c1)c1cccc(c1)c1cccc(c1)c1cccc(c1)c1cccc(c1)c1cccc(c1)c1cccc(c1)c1cccc2c1
Systematic name  (4)：
  • 3,3′-[(1,3-フェニレン)ビス(1,3-フェニレン)ビス(1,3-フェニレン)ビス(1,3-フェニレン)]ビフェニル
  • デカシクロ[40.3.1.12,6.17,11.112,16.117,21.122,26.127,31.132,36.137,41]テトラペンタコンタン-1(46),2,4,6(54),7,9,11(53),12,14,16(52),17,19,21(51),22,24,26(50),27,29,31(49),32,34,36(48),37,39,41(47),42,44-ヘプタコサエン
  • デカシクロ[40.3.1.12,6.17,11.112,16.117,21.122,26.127,31.132,36.137,41]テトラペンタコンタ-1(46),2,4,6(54),7,9,11(53),12,14,16(52),17,19,21(51),22,24,26(50),27,29,31(49),32,34,36(48),37,39,41(47),42,44-ヘプタコサエン
  • decacyclo[40.3.1.12,6.17,11.112,16.117,21.122,26.127,31.132,36.137,41]tetrapentaconta-1(46),2,4,6(54),7,9,11(53),12,14,16(52),17,19,21(51),22,24,26(50),27,29,31(49),32,34,36(48),37,39,41(47),42,44-heptacosaene
Other name (2)：
  • 3,3′-[(1,3-Phenylene)bis(1,3-phenylene)bis(1,3-phenylene)bis(1,3-phenylene)]biphenyl
  • Decacyclo[40.3.1.12,6.17,11.112,16.117,21.122,26.127,31.132,36.137,41]tetrapentacontane-1(46),2,4,6(54),7,9,11(53),12,14,16(52),17,19,21(51),22,24,26(50),27,29,31(49),32,34,36(48),37,39,41(47),42,44-heptacosaene
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