Tris(1,10-phenanthroline)iridium(3+) | SBID = 2087 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

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: C36H24IrN6+++
M / g/mol: 732.83296
Complexity:
Number of Conformers:

Identifiers

  • Tags: metal complex, typical guest, charged
  • Name: Tris(1,10-phenanthroline)iridium(3+)
  • Preferred Abbreviation: Ir(III)[phen]3
  • IUPAC Name:
  • CAS:
  • CID: -909
  • InChiKey: HNBQRTNZRFXNKL-UHFFFAOYSA-N
  • InChi: InChI=1S/3C12H8N2.Ir/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-8H;/q;;;+3
  • CanoSmiles: c1ccc2c(n1)c1ncccc1cc2.c1ccc2c(n1)c1ncccc1cc2.c1ccc2c(n1)c1ncccc1cc2.[Ir+3]
  • IsoSmiles: C1(C(N=CC=C2)=C2C=C3)=C3C=CC=N1.C4(C(N=CC=C5)=C5C=C6)=C6C=CC=N4.C7(C(N=CC=C8)=C8C=C9)=C9C=CC=N7.[Ir+3]