4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-methyl-pyridine | SBID = 861 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 5
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C24H18N+
M / g/mol: 320.41
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, dye, charged
  • Name: 4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-methyl-pyridine
  • Preferred Abbreviation: 4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-methyl-pyridine
  • IUPAC Name:
  • CAS:
  • CID: -255
  • InChiKey: BQIPWTJKZITRHB-UHFFFAOYSA-N
  • InChi: InChI=1S/C24H20N/c1-25-15-13-17(14-16-25)5-6-18-7-8-21-10-9-19-3-2-4-20-11-12-22(18)24(21)23(19)20/h2-7,9-16,22H,8H2,1H3
  • CanoSmiles: C[N]1=CC=C(C=C1)/C=C/C1=CCc2c3C1C=Cc1c3c(cc2)ccc1
  • IsoSmiles: C[N]1=CC=C(\C=C\C2=CCc3ccc4cccc5C=CC2c3c45)C=C1