Chem
J-GLOBAL ID:200907049441450604   Nikkaji number:J2.169.271I

N,N-Diethyl-3-(dodecyloxy)-5-[4-[4-(1,3-dimethyl-1H-indole-2-ylmethylene)-3-isopropylidene-2,5-dioxopyrrolizino]phenylamino]-9H-benzo[a]phenoxazine-9-ylideneiminium

N,N-ジエチル-3-(ドデシルオキシ)-5-[4-[4-(1,3-ジメチル-1H-インドール-2-イルメチレン)-3-イソプロピリデン-2,5-ジオキソピロリジノ]フェニルアミノ]-9H-ベンゾ[a]フェノキサジン-9-イリデンイミニウム
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: C56H64N4[N+]O4
Molecular formula furigana: C56-H64-N5-O4
Molecular weight: 871.158
InChI: InChI=1S/C56H63N5O4/c1-8-11-12-13-14-15-16-17-18-21-32-64-42-29-30-44-45(34-42)48(36-52-54(44)58-47-31-28-41(33-51(47)65-52)60(9-2)10-3)57-39-24-26-40(27-25-39)61-55(62)46(53(37(4)5)56(61)63)35-50-38(6)43-22-19-20-23-49(43)59(50)7/h19-20,22-31,33-36H,8-18,21,32H2,1-7H3/p+1
InChI key: YEZSICPALFZNOP-UHFFFAOYSA-O
SMILES: CCCCCCCCCCCCOc1ccc2c(c1)c(Nc1ccc(cc1)N1C(=O)C(=Cc3c(C)c4ccccc4n3C)C(=C(C)C)C1=O)cc1oc3cc(=[N+](CC)CC)ccc3nc21
Systematic name  (3):
  • N,N-ジエチル-3-(ドデシルオキシ)-5-[4-[4-(1,3-ジメチル-1H-インドール-2-イルメチレン)-3-イソプロピリデン-2,5-ジオキソピロリジノ]フェニルアミノ]-9H-ベンゾ[a]フェノキサジン-9-イリデンイミニウム
  • 12-[(4-{3-[(1,3-ジメチル-1H-インドール-2-イル)メチリデン]-2,5-ジオキソ-4-(プロパン-2-イリデン)ピロリジン-1-イル}フェニル)アミノ]-2-(ドデシルオキシ)-N,N-ジエチル-8H-10-オキサ-5-アザテトラフェン-8-イミニウム
  • 12-[(4-{3-[(1,3-dimethyl-1H-indol-2-yl)methylidene]-2,5-dioxo-4-(propan-2-ylidene)pyrrolidin-1-yl}phenyl)amino]-2-(dodecyloxy)-N,N-diethyl-8H-10-oxa-5-azatetraphen-8-iminium
Other name (1):
  • N,N-Diethyl-3-(dodecyloxy)-5-[4-[4-(1,3-dimethyl-1H-indole-2-ylmethylene)-3-isopropylidene-2,5-dioxopyrrolizino]phenylamino]-9H-benzo[a]phenoxazine-9-ylideneiminium
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