Chem
J-GLOBAL ID：200907084974543477   Nikkaji number：J2.740.100G

1,1,8,8-Tetramethyl[8](2,11)teropyrenophane

1,1,8,8-テトラメチル[8](2,11)テロピレノファン
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： C48H40
Molecular formula furigana： C48-H40
Molecular weight： 616.848
InChI： InChI=1S/C48H40/c1-47(2)21-7-5-6-8-22-48(3,4)32-25-29-11-15-35-39-19-17-37-33-13-9-27-23-31(47)24-28-10-14-34(43(33)41(27)28)38-18-20-40(46(39)45(37)38)36-16-12-30(26-32)42(29)44(35)36/h9-20,23-26H,5-8,21-22H2,1-4H3
InChI key： JDFWYXNDTNTDPC-UHFFFAOYSA-N
SMILES： CC1(C)CCCCCCC(C)(C)c2cc3ccc4c5ccc6c7ccc8cc1cc1ccc(c9ccc(c%10ccc(c2)c3c4%10)c5c69)c7c81
Systematic name  (3)：
  • 2,11-(2,9-ジメチルデカン-2,9-ジイル)ベンゾ[rst]ジナフト[8,1,2-cde:2′,1′,8′-klm]ペンタフェン
  • 27,27,34,34-テトラメチルウンデカシクロ[33.7.1.118,26.04,41.05,10.08,21.09,14.011,40.015,20.019,24.037,42]テトラテトラコンタ-1,3,5,7,9,11(40),12,14,16,18(44),19,21,23,25,35(43),36,38,41-オクタデカエン
  • 27,27,34,34-tetramethylundecacyclo[33.7.1.118,26.04,41.05,10.08,21.09,14.011,40.015,20.019,24.037,42]tetratetraconta-1,3,5,7,9,11(40),12,14,16,18(44),19,21,23,25,35(43),36,38,41-octadecaene
Other name (3)：
  • 2,11-(2,9-Dimethyldecane-2,9-diyl)benzo[rst]dinaphtho[8,1,2-cde:2′,1′,8′-klm]pentaphene
  • 1,1,8,8-Tetramethyl[8](2,11)teropyrenophane
  • 1,1,8,8-テトラメチル[8](2,11)テロピレノファン
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