Chem
J-GLOBAL ID:200907049381665142   Nikkaji number:J1.192.846C

1,3,5-Tris(4-cyanophenylethynyl)-2-[[(1β,5β)-6,6-dimethylbicyclo[3.1.1]heptane-2β-yl]methoxy]benzene

1,3,5-トリス(4-シアノフェニルエチニル)-2-[[(1β,5β)-6,6-ジメチルビシクロ[3.1.1]ヘプタン-2β-イル]メトキシ]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: C43H31N3O
Molecular formula furigana: C43-H31-N3-O
Molecular weight: 605.741
InChI: InChI=1S/C43H31N3O/c1-43(2)40-22-21-39(41(43)25-40)29-47-42-37(19-17-31-5-12-34(27-45)13-6-31)23-36(16-9-30-3-10-33(26-44)11-4-30)24-38(42)20-18-32-7-14-35(28-46)15-8-32/h3-8,10-15,23-24,39-41H,21-22,25,29H2,1-2H3/t39-,40+,41+/m1/s1
InChI key: JYBPKOJCLKNYLU-AEKUSUEZSA-N
SMILES: CC1(C)[C@@H]2C[C@H]1[C@@H](COc1c(cc(cc1C#Cc1ccc(cc1)C#N)C#Cc1ccc(cc1)C#N)C#Cc1ccc(cc1)C#N)CC2
Systematic name  (3):
  • 1,3,5-トリス(4-シアノフェニルエチニル)-2-[[(1β,5β)-6,6-ジメチルビシクロ[3.1.1]ヘプタン-2β-イル]メトキシ]ベンゼン
  • 4-(2-{3,5-ビス[2-(4-シアノフェニル)エチニル]-2-{[(1S,2S,5S)-6,6-ジメチルビシクロ[3.1.1]ヘプタン-2-イル]メトキシ}フェニル}エチニル)ベンゾニトリル
  • 4-(2-{3,5-bis[2-(4-cyanophenyl)ethynyl]-2-{[(1S,2S,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methoxy}phenyl}ethynyl)benzonitrile
Other name (1):
  • 1,3,5-Tris(4-cyanophenylethynyl)-2-[[(1β,5β)-6,6-dimethylbicyclo[3.1.1]heptane-2β-yl]methoxy]benzene
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