Chem
J-GLOBAL ID:200907048374288345   Nikkaji number:J2.321.887I

16,17,33,34-[(Octahydro-2,5-dioxo-3a,6a-diphenylimidazo[4,5-d]imidazole-3,4,6,1-tetrayl)tetrakismethylene]-8,25-bis[2-[bis(2-pyridylmethyl)aminomethyl]-5-pyridylmethyl]-2,5,11,14,19,22,28,31-octaoxa-8,25-diazatricyclo[30.2.2.215,18]octatriacontane-1(35),15(38),16,18(37),32(36),33-hexaene

8,25-ビス({[6-({ビス[(ピリジン-2-イル)メチル]アミノ}メチル)ピリジン-3-イル]メチル})-36,43-ジフェニル-2,5,11,14,19,22,28,31-オクタオキサ-8,25,35,37,42,44-ヘキサアザオクタシクロ[30.14.2.135,44.137,42.015,40.018,39.033,46.036,43]ペンタコンタ-1(46),15,17,32,39,47-ヘキサエン-49,50-ジオン
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: C86H92N14O10
Molecular formula furigana: C86-H92-N14-O10
Molecular weight: 1481.770
InChI: InChI=1S/C86H92N14O10/c101-83-97-61-75-77-63-99(83)86(68-17-5-2-6-18-68)85(97,67-15-3-1-4-16-67)98-62-76-78(64-100(86)84(98)102)82-30-28-80(76)108-48-44-104-40-36-93(53-65-23-25-73(91-51-65)59-95(55-69-19-7-11-31-87-69)56-70-20-8-12-32-88-70)35-39-103-43-47-107-79(75)27-29-81(77)109-49-45-105-41-37-94(38-42-106-46-50-110-82)54-66-24-26-74(92-52-66)60-96(57-71-21-9-13-33-89-71)58-72-22-10-14-34-90-72/h1-34,51-52H,35-50,53-64H2
InChI key: MLFQQFHFTSIUCU-UHFFFAOYSA-N
SMILES: O=C1N2Cc3c4OCCOCCN(Cc5ccc(CN(Cc6ccccn6)Cc6ccccn6)nc5)CCOCCOc5ccc6OCCOCCN(Cc7ccc(CN(Cc8ccccn8)Cc8ccccn8)nc7)CCOCCOc(cc4)c3CN1C1(N3Cc6c5CN(C3=O)C21c1ccccc1)c1ccccc1
Systematic name  (3):
  • 16,17,33,34-[(オクタヒドロ-2,5-ジオキソ-3a,6a-ジフェニルイミダゾ[4,5-d]イミダゾール-3,4,6,1-テトライル)テトラキスメチレン]-8,25-ビス[2-[ビス(2-ピリジルメチル)アミノメチル]-5-ピリジルメチル]-2,5,11,14,19,22,28,31-オクタオキサ-8,25-ジアザトリシクロ[30.2.2.215,18]オクタトリアコンタン-1(35),15(38),16,18(37),32(36),33-ヘキサエン
  • 8,25-ビス({[6-({ビス[(ピリジン-2-イル)メチル]アミノ}メチル)ピリジン-3-イル]メチル})-36,43-ジフェニル-2,5,11,14,19,22,28,31-オクタオキサ-8,25,35,37,42,44-ヘキサアザオクタシクロ[30.14.2.135,44.137,42.015,40.018,39.033,46.036,43]ペンタコンタ-1(46),15,17,32,39,47-ヘキサエン-49,50-ジオン
  • 8,25-bis({[6-({bis[(pyridin-2-yl)methyl]amino}methyl)pyridin-3-yl]methyl})-36,43-diphenyl-2,5,11,14,19,22,28,31-octaoxa-8,25,35,37,42,44-hexaazaoctacyclo[30.14.2.135,44.137,42.015,40.018,39.033,46.036,43]pentaconta-1(46),15,17,32,39,47-hexaene-49,50-dione
Other name (1):
  • 16,17,33,34-[(Octahydro-2,5-dioxo-3a,6a-diphenylimidazo[4,5-d]imidazole-3,4,6,1-tetrayl)tetrakismethylene]-8,25-bis[2-[bis(2-pyridylmethyl)aminomethyl]-5-pyridylmethyl]-2,5,11,14,19,22,28,31-octaoxa-8,25-diazatricyclo[30.2.2.215,18]octatriacontane-1(35),15(38),16,18(37),32(36),33-hexaene
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