Chem
J-GLOBAL ID:200907059358247096   Nikkaji number:J1.846.870K

1-Propyl-2-[3-cyano-5-(1-propyl-3,3-dimethylindoline-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-3H-indole-1-ium

1-プロピル-2-[3-シアノ-5-(1-プロピル-3,3-ジメチルインドリン-2-イリデン)-1,3-ペンタジエニル]-3,3-ジメチル-3H-インドール-1-イウム
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: C32H38N2[N+]
Molecular formula furigana: C32-H38-N3
Molecular weight: 464.676
InChI: InChI=1S/C32H38N3/c1-7-21-34-27-15-11-9-13-25(27)31(3,4)29(34)19-17-24(23-33)18-20-30-32(5,6)26-14-10-12-16-28(26)35(30)22-8-2/h9-20H,7-8,21-22H2,1-6H3/q+1
InChI key: DCCHXKJUBBEMJJ-UHFFFAOYSA-N
SMILES: CCCN1C(=CC=C(C=CC2=[N+](CCC)c3ccccc3C2(C)C)C#N)C(C)(C)c2ccccc12
Systematic name  (3):
  • 1-プロピル-2-[3-シアノ-5-(1-プロピル-3,3-ジメチルインドリン-2-イリデン)-1,3-ペンタジエニル]-3,3-ジメチル-3H-インドール-1-イウム
  • 2-{3-シアノ-3-[2-(3,3-ジメチル-1-プロピル-2,3-ジヒドロ-1H-インドール-2-イリデン)エチリデン]プロパ-1-エン-1-イル}-3,3-ジメチル-1-プロピル-3H-インドール-1-イウム
  • 2-{3-cyano-3-[2-(3,3-dimethyl-1-propyl-2,3-dihydro-1H-indol-2-ylidene)ethylidene]prop-1-en-1-yl}-3,3-dimethyl-1-propyl-3H-indol-1-ium
Other name (1):
  • 1-Propyl-2-[3-cyano-5-(1-propyl-3,3-dimethylindoline-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-3H-indole-1-ium
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