Chem
J-GLOBAL ID:200907051507009100   Nikkaji number:J1.104.816A

2,4,4,6,6-Pentakis(4-tert-butylphenoxy)-2-[4-(cyanomethyl)phenoxy]-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine

2,4,4,6,6-ペンタキス(4-tert-ブチルフェノキシ)-2-[4-(シアノメチル)フェノキシ]-2,2,4,4,6,6-ヘキサヒドロ-1,3,5,2,4,6-トリアザトリホスホリン
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: C58H77N4O6P3
Molecular formula furigana: C58-H77-N4-O6-P3
Molecular weight: 1019.197
InChI: InChI=1S/C58H71N4O6P3/c1-54(2,3)43-18-30-49(31-19-43)64-69(63-48-28-16-42(17-29-48)40-41-59)60-70(65-50-32-20-44(21-33-50)55(4,5)6,66-51-34-22-45(23-35-51)56(7,8)9)62-71(61-69,67-52-36-24-46(25-37-52)57(10,11)12)68-53-38-26-47(27-39-53)58(13,14)15/h16-39H,40H2,1-15H3
InChI key: ZJIBXJUOEFEESU-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(OP2(=NP(=NP(=N2)(Oc2ccc(cc2)C(C)(C)C)Oc2ccc(cc2)C(C)(C)C)(Oc2ccc(cc2)C(C)(C)C)Oc2ccc(cc2)C(C)(C)C)Oc2ccc(CC#N)cc2)cc1
Systematic name  (3):
  • 2,4,4,6,6-ペンタキス(4-tert-ブチルフェノキシ)-2-[4-(シアノメチル)フェノキシ]-2,2,4,4,6,6-ヘキサヒドロ-1,3,5,2,4,6-トリアザトリホスホリン
  • 2-(4-{[2,4,4,6,6-ペンタキス(4-tert-ブチルフェノキシ)-1,3,5,2λ7,7,7-トリアザトリホスフィニン-2-イル]オキシ}フェニル)アセトニトリル
  • 2-(4-{[2,4,4,6,6-pentakis(4-tert-butylphenoxy)-1,3,5,2λ7,7,7-triazatriphosphinin-2-yl]oxy}phenyl)acetonitrile
Other name (1):
  • 2,4,4,6,6-Pentakis(4-tert-butylphenoxy)-2-[4-(cyanomethyl)phenoxy]-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorine
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