chempirical

2-[2-Methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]propanedinitrile

C23H21N3OCAS 51325-95-2355.44 g/mol

Open in Covalent MOL file
NNNO
AlkeneEtherNitrileTertiary amine

Properties

Molecular formula
C23H21N3O
Molar mass
355.44 g/mol
Exact mass
355.1685 Da
logP
4.56Crippen estimate
Polar surface area
60.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
51325-95-2
SMILES
CC1=CC(=C(C#N)C#N)C=C(C=Cc2cc3c4c(c2)CCCN4CCC3)O1
InChIKey
ZNJRONVKWRHYBF-UHFFFAOYSA-N
InChI
InChI=1S/C23H21N3O/c1-16-10-20(21(14-24)15-25)13-22(27-16)7-6-17-11-18-4-2-8-26-9-3-5-19(12-17)23(18)26/h6-7,10-13H,2-5,8-9H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Propanedinitrile, 2-[2-methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]-
  • Propanedinitrile, [2-methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]-
  • 1H,5H-Benzo[ij]quinolizine, propanedinitrile deriv.
  • DCM 2
  • DCM II
  • DCM 2 (dye)
  • [2-Methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]propanedinitrile
  • DCJ
  • DCM 684
  • 4-(Dicyanomethylene)-2-methyl-6-(julolidin-9-yl-vinyl)-4H-pyran

Work with 2-[2-Methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]propanedinitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Dicyanomethylene)-2-methyl-6-(P-dimethylaminostyryl)-4H-pyran51325-91-856 % similar 4-Dicyanomethylene-2,6-dimethyl-4H-pyran28286-88-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook