Tris(2,2'-bipyridyl)iridium(III) | SBID = 2088 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 3.0
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: C30H24IrN6+++
M / g/mol: 660.76876
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: Tris(2,2'-bipyridyl)iridium(III)
  • Preferred Abbreviation: Ir(III)[bpy]3
  • IUPAC Name:
  • CAS:
  • CID: -910
  • InChiKey: XOOAMRHTGYKSID-UHFFFAOYSA-N
  • InChi: InChI=1S/3C10H8N2.Ir/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-8H;/q;;;+3
  • CanoSmiles: c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.[Ir+3]
  • IsoSmiles: C1(C2=CC=CC=N2)=NC=CC=C1.C3(C4=CC=CC=N4)=NC=CC=C3.C5(C6=CC=CC=N6)=NC=CC=C5.[Ir+3]