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Iron(II) tris(pyridylimine) chromophore | SBID = 735 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 8.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C144H108Fe4N24++++++++
M / g/mol: 2397.99
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical host, cation, charged
  • Name: Iron(II) tris(pyridylimine) chromophore
  • Preferred Abbreviation: Iron(II) tris(pyridylimine) chromophore
  • IUPAC Name:
  • CAS:
  • CID: -210
  • InChiKey: ZDWQXGSXVJBVTH-QIZDQKSUSA-N
  • InChi: InChI=1S/6C24H18N4.4Fe/c6*1-3-7-21(8-4-1)27-17-23-13-11-19(15-25-23)20-12-14-24(26-16-20)18-28-22-9-5-2-6-10-22;;;;/h6*1-18H;;;;/q;;;;;;4*+2/b6*27-17+,28-18+;;;;
  • CanoSmiles: C1(C2=CN=C(C=C2)/C=N/C3=CC=CC=C3)=CN=C(C=C1)/C=N/C4=CC=CC=C4.C5(C6=CN=C(/C=N/C7=CC=CC=C7)C=C6)=CN=C(/C=N/C8=CC=CC=C8)C=C5.[Fe+2]9%10[Fe+2]%11[Fe+2]9[Fe+2]%10%11.C%12(C%13=CN=C(/C=N/C%14=CC=CC=C%14)C=C%13)=CN=C(/C=N/C%15=CC=CC=C%15)C=C%12.C%16(C%17=CN=C(/C=N/C%18=CC=CC=C%18)C=C%17)=CN=C(/C=N/C%19=CC=CC=C%19)C=C%16.C%20(C%21=CN=C(/C=N/C%22=CC=CC=C%22)C=C%21)=CN=C(/C=N/C%23=CC=CC=C%23)C=C%20.C%24(C%25=CN=C(/C=N/C%26=CC=CC=C%26)C=C%25)=CN=C(/C=N/C%27=CC=CC=C%27)C=C%24
  • IsoSmiles: C1(C2=CN=C(C=C2)/C=N/C3=CC=CC=C3)=CN=C(C=C1)/C=N/C4=CC=CC=C4.C5(C6=CN=C(/C=N/C7=CC=CC=C7)C=C6)=CN=C(/C=N/C8=CC=CC=C8)C=C5.[Fe+2]9%10[Fe+2]%11[Fe+2]9[Fe+2]%10%11.C%12(C%13=CN=C(/C=N/C%14=CC=CC=C%14)C=C%13)=CN=C(/C=N/C%15=CC=CC=C%15)C=C%12.C%16(C%17=CN=C(/C=N/C%18=CC=CC=C%18)C=C%17)=CN=C(/C=N/C%19=CC=CC=C%19)C=C%16.C%20(C%21=CN=C(/C=N/C%22=CC=CC=C%22)C=C%21)=CN=C(/C=N/C%23=CC=CC=C%23)C=C%20.C%24(C%25=CN=C(/C=N/C%26=CC=CC=C%26)C=C%25)=CN=C(/C=N/C%27=CC=CC=C%27)C=C%24