[4,4′-Dimethyl-2,2′-dipyridyl]bis[2-(2-pyridinyl-N)phenyl-C]iridium(I) | SBID = 2090 | 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: 1.0
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: C34H30IrN4+
M / g/mol: 686.8458
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: [4,4′-Dimethyl-2,2′-dipyridyl]bis[2-(2-pyridinyl-N)phenyl-C]iridium(I)
  • Preferred Abbreviation: [4,4′-Dimethyl-2,2′-dipyridyl]bis[2-(2-pyridinyl-N)phenyl-C]iridium(I)
  • IUPAC Name:
  • CAS:
  • CID: -912
  • InChiKey: OEAGJMMKTDNDQN-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H12N2.2C11H9N.Ir/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3-8H,1-2H3;2*1-9H;/q;;;+1
  • CanoSmiles: c1ccc(cc1)c1ccccn1.c1ccc(cc1)c1ccccn1.Cc1ccnc(c1)c1nccc(c1)C.[Ir+]
  • IsoSmiles: CC1=CC(C2=NC=CC(C)=C2)=NC=C1.C3(C4=CC=CC=C4)=CC=CC=N3.C5(C6=CC=CC=C6)=CC=CC=N5.[Ir+]