Chem
J-GLOBAL ID：201807019027912748   Nikkaji number：J3.707.571J

3′′′′′,5-Cyclo-3,5′:3′,5′′:3′′,5′′′:3′′′,5′′′′:3′′′′,5′′′′′-sexi[1-(2,6-dimethylphenyl)benzene]

3′′′′′,5-シクロ-3,5′:3′,5′′:3′′,5′′′:3′′′,5′′′′:3′′′′,5′′′′′-セキシ[1-(2,6-ジメチルフェニル)ベンゼン]
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： C84H72
Molecular formula furigana： C84-H72
Molecular weight： 1081.500
InChI： InChI=1S/C84H72/c1-49-19-13-20-50(2)79(49)73-37-61-31-62(38-73)64-33-66(42-75(40-64)81-53(5)23-15-24-54(81)6)68-35-70(46-77(44-68)83-57(9)27-17-28-58(83)10)72-36-71(47-78(48-72)84-59(11)29-18-30-60(84)12)69-34-67(43-76(45-69)82-55(7)25-16-26-56(82)8)65-32-63(61)39-74(41-65)80-51(3)21-14-22-52(80)4/h13-48H,1-12H3
InChI key： WTDBDTIJJXDNGQ-UHFFFAOYSA-N
SMILES： Cc1cccc(C)c1c1cc2cc(c1)c1cc(cc(c1)c1cc(cc(c1)c1cc(cc(c1)c1cc(cc(c1)c1cc(cc2c1)c1c(C)cccc1C)c1c(C)cccc1C)c1c(C)cccc1C)c1c(C)cccc1C)c1c(C)cccc1C
Systematic name  (3)：
  • 3′′′′′,5-シクロ-3,5′:3′,5′′:3′′,5′′′:3′′′,5′′′′:3′′′′,5′′′′′-セキシ[1-(2,6-ジメチルフェニル)ベンゼン]
  • 4,9,14,19,24,29-ヘキサキス(2,6-ジメチルフェニル)ヘプタシクロ[25.3.1.12,6.17,11.112,16.117,21.122,26]ヘキサトリアコンタ-1(31),2,4,6(36),7,9,11(35),12,14,16(34),17,19,21(33),22,24,26(32),27,29-オクタデカエン
  • 4,9,14,19,24,29-hexakis(2,6-dimethylphenyl)heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(31),2,4,6(36),7,9,11(35),12,14,16(34),17,19,21(33),22,24,26(32),27,29-octadecaene
Other name (1)：
  • 3′′′′′,5-Cyclo-3,5′:3′,5′′:3′′,5′′′:3′′′,5′′′′:3′′′′,5′′′′′-sexi[1-(2,6-dimethylphenyl)benzene]
Thsaurus map：
Thesaurus Map

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