3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine

C35H24IrN4-2 — CID 164826378

IUPAC3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
SMILES[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccccc1
InChIInChI=1S/C24H16N3.C11H8N.Ir/c1-4-10-18(11-5-1)21-16-17-22-24(25-21)27(20-14-8-3-9-15-20)23(26-22)19-12-6-2-7-13-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-12,14-17H;1-6,8-9H;/q2*-1;
InChIKeyLGACRJWNTUEYPY-UHFFFAOYSA-N
MW692.82 g/mol
LogP8.10
Rot. Bonds4

About 3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine

3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine (PubChem CID 164826378) has the molecular formula C35H24IrN4-2 and a molecular weight of 692.82 g/mol. Its IUPAC name is 3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine.

Molecular Properties

Compound Name3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
PubChem CID164826378
Molecular FormulaC35H24IrN4-2
Molecular Weight692.82 g/mol
Exact Mass693.16
IUPAC Name3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
SMILES[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccccc1
InChIInChI=1S/C24H16N3.C11H8N.Ir/c1-4-10-18(11-5-1)21-16-17-22-24(25-21)27(20-14-8-3-9-15-20)23(26-22)19-12-6-2-7-13-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-12,14-17H;1-6,8-9H;/q2*-1;
InChIKeyLGACRJWNTUEYPY-UHFFFAOYSA-N
XLogP8.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164825468
1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164824958
iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine
CID 164827342
iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine
CID 164827189
iridium;1-methyl-4-phenyl-2-phenylimidazole;2-phenylpyridine
CID 170539604
iridium;tris(2-phenylpyridine)
CID 23386734
iridium;7-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
CID 153426884
1-(2,6-diphenylphenyl)-5-phenyl-2-phenylbenzimidazole;iridium;2-phenylpyridine
CID 153426888
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144
iridium;5-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
CID 153426870
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
iridium;2-methyl-3-phenyl-6-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 166495302

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The IUPAC name of 3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine (CID 164826378) is 3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine.
What is the SMILES notation for 3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The canonical SMILES for 3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine is [Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccccc1.
What is the InChIKey of 3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The InChIKey is LGACRJWNTUEYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N3.C11H8N.Ir/c1-4-10-18(11-5-1)21-16-17-22-24(25-21)27(20-14-8-3-9-15-20)23(26-22)19-12-6-2-7-13-19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-12,14-17H;1-6,8-9H;/q2*-1;.
What are the key properties of 3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine has a molecular weight of 692.82 g/mol, XLogP of 8.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 164826378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).