Chem
J-GLOBAL ID：200907038415736565   Nikkaji number：J1.529.394B

2,7-Di-tert-butyl-4,5-trimethylene-4a,4b-dimethyl-4a,4b-dihydrophenanthrene-9,10-dicarbonitrile

2,7-ジ-tert-ブチル-4,5-トリメチレン-4a,4b-ジメチル-4a,4b-ジヒドロフェナントレン-9,10-ジカルボニトリル
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： C29H34N2
Molecular formula furigana： C29-H34-N2
Molecular weight： 410.605
InChI： InChI=1S/C29H34N2/c1-26(2,3)20-12-18-10-9-11-19-13-21(27(4,5)6)15-25-23(17-31)22(16-30)24(14-20)28(18,7)29(19,25)8/h12-15H,9-11H2,1-8H3
InChI key： HZXARBZOCYTCLO-UHFFFAOYSA-N
SMILES： CC(C)(C)C1=CC2=C(C#N)C(=C3C=C(C=C4CCCC(=C1)C2(C)C34C)C(C)(C)C)C#N
Systematic name  (4)：
  • 2,7-ジ-tert-ブチル-4,5-トリメチレン-4a,4b-ジメチル-4a,4b-ジヒドロフェナントレン-9,10-ジカルボニトリル
  • 2,7-ジ-tert-ブチル-11b,11c-ジメチル-9,10,11b,11c-テトラヒドロ-11H-シクロヘプタ[def]フェナントレン-4,5-ジカルボニトリル
  • 7,14-ジ-tert-ブチル-16,17-ジメチルテトラシクロ[7.6.2.05,17.012,16]ヘプタデカ-1(15),5,7,9,11,13-ヘキサエン-10,11-ジカルボニトリル
  • 7,14-di-tert-butyl-16,17-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9,11,13-hexaene-10,11-dicarbonitrile
Other name (2)：
  • 2,7-Di-tert-butyl-4,5-trimethylene-4a,4b-dimethyl-4a,4b-dihydrophenanthrene-9,10-dicarbonitrile
  • 2,7-Di-tert-butyl-11b,11c-dimethyl-9,10,11b,11c-tetrahydro-11H-cyclohepta[def]phenanthrene-4,5-dicarbonitrile
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