Chem
J-GLOBAL ID：200907011425012306   Nikkaji number：J999.862D

5,5′-[(2,2′-Dimethyl-5,5′-dipropoxy-1,1′-biphenyl-4,4′-diyl)bis(nitrilomethylidyne)]bis(hexahydropyrimidine-2,4,6-trione)

5,5′-[(2,2′-ジメチル-5,5′-ジプロポキシ-1,1′-ビフェニル-4,4′-ジイル)ビス(ニトリロメチリジン)]ビス(ヘキサヒドロピリミジン-2,4,6-トリオン)
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： C30H32N6O8
Molecular formula furigana： C30-H32-N6-O8
Molecular weight： 604.620
InChI： InChI=1S/C30H32N6O8/c1-5-7-43-23-11-17(15(3)9-21(23)31-13-19-25(37)33-29(41)34-26(19)38)18-12-24(44-8-6-2)22(10-16(18)4)32-14-20-27(39)35-30(42)36-28(20)40/h9-14,19-20H,5-8H2,1-4H3,(H2,33,34,37,38,41)(H2,35,36,39,40,42)
InChI key： XLPATHMUTLYTGO-UHFFFAOYSA-N
SMILES： CCCOc1cc(c(C)cc1N=CC1C(=O)NC(=O)NC1=O)c1cc(OCCC)c(cc1C)N=CC1C(=O)NC(=O)NC1=O
Systematic name  (4)：
  • 5,5′-[[2,2′-ジメチル-5,5′-ビス(プロポキシ)-1,1′-ビフェニル-4,4′-ジイル]ビス(ニトリロメチリジン)]ビス[ピリミジン-2,4,6(1H,3H,5H)-トリオン]
  • 5,5′-[(2,2′-ジメチル-5,5′-ジプロポキシ-1,1′-ビフェニル-4,4′-ジイル)ビス(ニトリロメチリジン)]ビス(ヘキサヒドロピリミジン-2,4,6-トリオン)
  • 5-{[(2,2'-ジメチル-5,5'-ジプロポキシ-4'-{[(2,4,6-トリオキソ-1,3-ジアジナン-5-イル)メチリデン]アミノ}-[1,1'-ビフェニル]-4-イル)イミノ]メチル}-1,3-ジアジナン-2,4,6-トリオン
  • 5-{[(2,2'-dimethyl-5,5'-dipropoxy-4'-{[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]amino}-[1,1'-biphenyl]-4-yl)imino]methyl}-1,3-diazinane-2,4,6-trione
Other name (2)：
  • 5,5′-[[2,2′-Dimethyl-5,5′-bis(propoxy)-1,1′-biphenyl-4,4′-diyl]bis(nitrilomethylidyne)]bis[pyrimidine-2,4,6(1H,3H,5H)-trione]
  • 5,5′-[(2,2′-Dimethyl-5,5′-dipropoxy-1,1′-biphenyl-4,4′-diyl)bis(nitrilomethylidyne)]bis(hexahydropyrimidine-2,4,6-trione)
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