2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine

C36H23FIrN4O-2 — CID 164826899

IUPAC2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
SMILESCc1ccc2nc(-c3[c-]ccc4c3oc3cc(F)ccc34)n(-c3ccccc3)c2n1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H15FN3O.C11H8N.Ir/c1-15-10-13-21-25(27-15)29(17-6-3-2-4-7-17)24(28-21)20-9-5-8-19-18-12-11-16(26)14-22(18)30-23(19)20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8,10-14H,1H3;1-6,8-9H;/q2*-1;
InChIKeyOHJQANQNBWNVJZ-UHFFFAOYSA-N
MW738.82 g/mol
LogP8.78
Rot. Bonds3

About 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine

2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine (PubChem CID 164826899) has the molecular formula C36H23FIrN4O-2 and a molecular weight of 738.82 g/mol. Its IUPAC name is 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine.

Molecular Properties

Compound Name2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
PubChem CID164826899
Molecular FormulaC36H23FIrN4O-2
Molecular Weight738.82 g/mol
Exact Mass739.15
IUPAC Name2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
SMILESCc1ccc2nc(-c3[c-]ccc4c3oc3cc(F)ccc34)n(-c3ccccc3)c2n1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C25H15FN3O.C11H8N.Ir/c1-15-10-13-21-25(27-15)29(17-6-3-2-4-7-17)24(28-21)20-9-5-8-19-18-12-11-16(26)14-22(18)30-23(19)20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8,10-14H,1H3;1-6,8-9H;/q2*-1;
InChIKeyOHJQANQNBWNVJZ-UHFFFAOYSA-N
XLogP8.78
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.82
LogP ≤ 58.78
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

2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine
CID 164827018
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-3-phenylimidazo[4,5-c]cinnoline;iridium;2-phenylpyridine
CID 164826269
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-b]quinoline;iridium;2-phenylpyridine
CID 164824770
iridium;2-phenylpyridine;trimethyl-[6-(3-phenylimidazo[4,5-b]pyridin-2-yl)-7H-dibenzofuran-7-id-3-yl]germane
CID 164826362
2-(3H-dibenzofuran-3-id-4-yl)-3,5-diphenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164825468
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-3-phenylimidazo[4,5-b]quinoline;iridium;2-phenylpyridine
CID 164824839
5-tert-butyl-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164825646
5-tert-butyl-3-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-b]pyridine;iridium;2-phenylpyridine
CID 164826330
iridium;2-methyl-8-(4-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 164824741
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
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-3-phenylimidazo[4,5-b]pyrazine;iridium;2-phenylpyridine
CID 164825816
iridium;2-methyl-8-(5-phenylimidazo[4,5-e]tetrazin-6-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenylpyridine
CID 164827363

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The IUPAC name of 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine (CID 164826899) is 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine.
What is the SMILES notation for 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The canonical SMILES for 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine is Cc1ccc2nc(-c3[c-]ccc4c3oc3cc(F)ccc34)n(-c3ccccc3)c2n1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
The InChIKey is OHJQANQNBWNVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN3O.C11H8N.Ir/c1-15-10-13-21-25(27-15)29(17-6-3-2-4-7-17)24(28-21)20-9-5-8-19-18-12-11-16(26)14-22(18)30-23(19)20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8,10-14H,1H3;1-6,8-9H;/q2*-1;.
What are the key properties of 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine?
2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine has a molecular weight of 738.82 g/mol, XLogP of 8.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-5-methyl-3-phenylimidazo[4,5-b]pyridine;iridium;2-phenylpyridine is sourced from PubChem (CID 164826899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).