Hoechst 33342 | SBID = 2391 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 8
PubChem TPSA/Å2:
Ertl TPSA/Å2: 73.07
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.29
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C27H28N6O
M / g/mol: 452.55082
Complexity:
Number of Conformers:

Identifiers

  • Tags: dye
  • Name: Hoechst 33342
  • Preferred Abbreviation: H33342
  • IUPAC Name:
  • CAS:
  • CID: -997
  • InChiKey: PRDFBSVERLRRMY-UHFFFAOYSA-N
  • InChi: InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)
  • CanoSmiles: CCOc1ccc(cc1)c1nc2c([nH]1)cc(cc2)c1nc2c([nH]1)cc(cc2)N1CCN(CC1)C
  • IsoSmiles: CN(CC1)CCN1C2=CC=C(N=C(C3=CC4=C(N=C(C5=CC=C(OCC)C=C5)N4)C=C3)N6)C6=C2