Chem
J-GLOBAL ID：200907000061056432   Nikkaji number：J2.254.025D

3-(1,4-Dimethyl-7-isopropylazulene-3-yl)-5,10-dimethyl-8-isopropyl-6,9-ethano-1,2,3,6,9,10a-hexahydrobenzo[a]azulene-1,1,2,2,11,11,12,12-octacarbonitrile

3-(1,4-ジメチル-7-イソプロピルアズレン-3-イル)-5,10-ジメチル-8-イソプロピル-6,9-エタノ-1,2,3,6,9,10a-ヘキサヒドロベンゾ[a]アズレン-1,1,2,2,11,11,12,12-オクタカルボニトリル
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： C44H36N8
Molecular formula furigana： C44-H36-N8
Molecular weight： 676.828
InChI： InChI=1S/C44H36N8/c1-23(2)29-10-9-25(5)36-31(12-29)26(6)11-32(36)35-14-33-37-27(7)34-13-30(24(3)4)40(44(21-51,22-52)41(34,15-45)16-46)38(37)28(8)39(33)43(19-49,20-50)42(35,17-47)18-48/h9-14,23-24,34-35,39-40H,1-8H3
InChI key： BGQBDESWGZMYBH-UHFFFAOYSA-N
SMILES： CC(C)C1=CC2C(=C3C4=CC(c5cc(C)c6cc(ccc(C)c56)C(C)C)C(C#N)(C#N)C(C#N)(C#N)C4C(=C3C1C(C#N)(C#N)C2(C#N)C#N)C)C
Systematic name  (4)：
  • 3-(1,4-ジメチル-7-イソプロピルアズレン-3-イル)-5,10-ジメチル-8-イソプロピル-6,9-エタノ-1,2,3,6,9,10a-ヘキサヒドロベンゾ[a]アズレン-1,1,2,2,11,11,12,12-オクタカルボニトリル
  • 3-(3,8-ジメチル-5-イソプロピルアズレン-1-イル)-5,10-ジメチル-8-イソプロピル-6,9-エタノ-1,2,3,6,9,10a-ヘキサヒドロベンゾ[a]アズレン-1,1,2,2,11,11,12,12-オクタカルボニトリル
  • 7-[3,8-ジメチル-5-(プロパン-2-イル)アズレン-1-イル]-3,11-ジメチル-15-(プロパン-2-イル)テトラシクロ[10.2.2.02,10.04,9]ヘキサデカ-2,8,10,15-テトラエン-5,5,6,6,13,13,14,14-オクタカルボニトリル
  • 7-[3,8-dimethyl-5-(propan-2-yl)azulen-1-yl]-3,11-dimethyl-15-(propan-2-yl)tetracyclo[10.2.2.02,10.04,9]hexadeca-2,8,10,15-tetraen-5,5,6,6,13,13,14,14-octacarbonitrile
Other name (2)：
  • 3-(1,4-Dimethyl-7-isopropylazulene-3-yl)-5,10-dimethyl-8-isopropyl-6,9-ethano-1,2,3,6,9,10a-hexahydrobenzo[a]azulene-1,1,2,2,11,11,12,12-octacarbonitrile
  • 3-(3,8-Dimethyl-5-isopropylazulene-1-yl)-5,10-dimethyl-8-isopropyl-6,9-ethano-1,2,3,6,9,10a-hexahydrobenzo[a]azulene-1,1,2,2,11,11,12,12-octacarbonitrile
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