2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine

C41H26IrN4O-2 — CID 164825468

IUPAC2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
SMILES[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccccc1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C30H18N3O.C11H8N.Ir/c1-3-10-20(11-4-1)25-18-19-26-30(31-25)33(21-12-5-2-6-13-21)29(32-26)24-16-9-15-23-22-14-7-8-17-27(22)34-28(23)24;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-15,17-19H;1-6,8-9H;/q2*-1;
InChIKeyLOIQUNXCBOVHEJ-UHFFFAOYSA-N
MW782.90 g/mol
LogP10.00
Rot. Bonds4

About 2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine

2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine (PubChem CID 164825468) has the molecular formula C41H26IrN4O-2 and a molecular weight of 782.90 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine.

Molecular Properties

Compound Name2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
PubChem CID164825468
Molecular FormulaC41H26IrN4O-2
Molecular Weight782.90 g/mol
Exact Mass783.17
IUPAC Name2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
SMILES[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccccc1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C30H18N3O.C11H8N.Ir/c1-3-10-20(11-4-1)25-18-19-26-30(31-25)33(21-12-5-2-6-13-21)29(32-26)24-16-9-15-23-22-14-7-8-17-27(22)34-28(23)24;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-15,17-19H;1-6,8-9H;/q2*-1;
InChIKeyLOIQUNXCBOVHEJ-UHFFFAOYSA-N
XLogP10.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.90
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-3-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826330
3,5-diphenyl-2-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826378
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826899
iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane
CID 164826362
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-3-phenylimidazo[4,5-b]quinoline;iridium;2-phenylpyridine
CID 164824839
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;2-phenylpyridine
CID 167387978
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine
CID 164826269
2-(3H-dibenzofuran-3-id-4-yl)-5-phenyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 164826722
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-3-phenylimidazo[4,5-b]pyrazine;iridium;2-phenylpyridine
CID 164825816
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine
CID 164827018
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)imidazole;iridium;2-phenylpyridine
CID 166010889
iridium;2-phenylpyridine;trimethyl-[6-(7-phenylimidazo[4,5-e][1,2,4]triazin-6-yl)-7H-dibenzofuran-7-id-3-yl]silane
CID 164825208

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine (CID 164825468) is 2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine.
What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine is [Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccccc1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The InChIKey is LOIQUNXCBOVHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N3O.C11H8N.Ir/c1-3-10-20(11-4-1)25-18-19-26-30(31-25)33(21-12-5-2-6-13-21)29(32-26)24-16-9-15-23-22-14-7-8-17-27(22)34-28(23)24;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-15,17-19H;1-6,8-9H;/q2*-1;.
What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine has a molecular weight of 782.90 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 164825468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).