Chem
J-GLOBAL ID：200907001043787272   Nikkaji number：J2.076.226H

1,1′-[[2,5-Bis(decyloxy)-1,4-phenylene]bisethynylenebis(4,1-phenylene)]bis[1,3,5-triazine-2,4,6(1H,3H,5H)-trione]

1,1′-[[2,5-ビス(デシルオキシ)-1,4-フェニレン]ビスエチニレンビス(4,1-フェニレン)]ビス[1,3,5-トリアジン-2,4,6(1H,3H,5H)-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： C48H56N6O8
Molecular formula furigana： C48-H56-N6-O8
Molecular weight： 845.010
InChI： InChI=1S/C48H56N6O8/c1-3-5-7-9-11-13-15-17-31-61-41-33-38(26-20-36-23-29-40(30-24-36)54-47(59)51-44(56)52-48(54)60)42(62-32-18-16-14-12-10-8-6-4-2)34-37(41)25-19-35-21-27-39(28-22-35)53-45(57)49-43(55)50-46(53)58/h21-24,27-30,33-34H,3-18,31-32H2,1-2H3,(H2,49,50,55,57,58)(H2,51,52,56,59,60)
InChI key： RVBJCDGPNVZVOO-UHFFFAOYSA-N
SMILES： CCCCCCCCCCOc1cc(C#Cc2ccc(cc2)n2c(=O)[nH]c(=O)[nH]c2=O)c(OCCCCCCCCCC)cc1C#Cc1ccc(cc1)n1c(=O)[nH]c(=O)[nH]c1=O
Systematic name  (3)：
  • 1,1′-[[2,5-ビス(デシルオキシ)-1,4-フェニレン]ビスエチニレンビス(4,1-フェニレン)]ビス[1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオン]
  • 1-(4-{2-[2,5-ビス(デシルオキシ)-4-{2-[4-(2,4,6-トリオキソ-1,3,5-トリアジナン-1-イル)フェニル]エチニル}フェニル]エチニル}フェニル)-1,3,5-トリアジナン-2,4,6-トリオン
  • 1-(4-{2-[2,5-bis(decyloxy)-4-{2-[4-(2,4,6-trioxo-1,3,5-triazinan-1-yl)phenyl]ethynyl}phenyl]ethynyl}phenyl)-1,3,5-triazinane-2,4,6-trione
Other name (1)：
  • 1,1′-[[2,5-Bis(decyloxy)-1,4-phenylene]bisethynylenebis(4,1-phenylene)]bis[1,3,5-triazine-2,4,6(1H,3H,5H)-trione]
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Thesaurus Map

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