1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine

C35H24IrN4-2 — CID 164824958

IUPAC1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
SMILES[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ncc(-c3ccccc3)cc2n1-c1ccccc1
InChIInChI=1S/C24H16N3.C11H8N.Ir/c1-4-10-18(11-5-1)20-16-22-23(25-17-20)26-24(19-12-6-2-7-13-19)27(22)21-14-8-3-9-15-21;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-12,14-17H;1-6,8-9H;/q2*-1;
InChIKeyDHOIFTYLIUEPED-UHFFFAOYSA-N
MW692.82 g/mol
LogP8.10
Rot. Bonds4

About 1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine

1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine (PubChem CID 164824958) has the molecular formula C35H24IrN4-2 and a molecular weight of 692.82 g/mol. Its IUPAC name is 1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine.

Molecular Properties

Compound Name1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
PubChem CID164824958
Molecular FormulaC35H24IrN4-2
Molecular Weight692.82 g/mol
Exact Mass693.16
IUPAC Name1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
SMILES[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ncc(-c3ccccc3)cc2n1-c1ccccc1
InChIInChI=1S/C24H16N3.C11H8N.Ir/c1-4-10-18(11-5-1)20-16-22-23(25-17-20)26-24(19-12-6-2-7-13-19)27(22)21-14-8-3-9-15-21;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-12,14-17H;1-6,8-9H;/q2*-1;
InChIKeyDHOIFTYLIUEPED-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

iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine
CID 164827189
3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826378
1-(2,6-diphenylphenyl)-5-phenyl-2-phenylbenzimidazole;iridium;2-phenylpyridine
CID 153426888
6-tert-butyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164827238
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
iridium;5-phenyl-2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole;2-phenylpyridine
CID 153426870
iridium;5-methyl-2-(1-methyl-7-phenyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylimidazo[4,5-b]pyridine;2-phenylpyridine
CID 164827228
iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine
CID 164827342
iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
CID 153423282
dimethyl(phosphanyl)phosphane;iridium;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;4-phenyl-2-phenylpyridine;2-phenylpyridine
CID 158033018
iridium;tris(2-phenylpyridine)
CID 23386734
iridium;1-methyl-4-phenyl-2-phenylimidazole;2-phenylpyridine
CID 170539604

Frequently Asked Questions

What is the IUPAC name of 1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The IUPAC name of 1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine (CID 164824958) is 1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine.
What is the SMILES notation for 1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The canonical SMILES for 1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine is [Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ncc(-c3ccccc3)cc2n1-c1ccccc1.
What is the InChIKey of 1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The InChIKey is DHOIFTYLIUEPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N3.C11H8N.Ir/c1-4-10-18(11-5-1)20-16-22-23(25-17-20)26-24(19-12-6-2-7-13-19)27(22)21-14-8-3-9-15-21;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 1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
1,6-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 1,6-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 164824958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).