iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine

C37H28IrN2O-2 — CID 164797977

IUPACiridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccc2c(oc3c(-c4ccccc4)cccc32)c1-c1ccccn1
InChIInChI=1S/C23H14NO.C14H14N.Ir/c1-2-8-16(9-3-1)17-10-6-11-18-19-12-7-13-20(23(19)25-22(17)18)21-14-4-5-15-24-21;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;/h1-12,14-15H;3-6,8-11H,1-2H3;/q2*-1;
InChIKeyZURLYRUKAUHUFY-UHFFFAOYSA-N
MW708.86 g/mol
LogP9.78
Rot. Bonds4

About iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine

iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine (PubChem CID 164797977) has the molecular formula C37H28IrN2O-2 and a molecular weight of 708.86 g/mol. Its IUPAC name is iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine.

Molecular Properties

Compound Nameiridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine
PubChem CID164797977
Molecular FormulaC37H28IrN2O-2
Molecular Weight708.86 g/mol
Exact Mass709.18
IUPAC Nameiridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccc2c(oc3c(-c4ccccc4)cccc32)c1-c1ccccn1
InChIInChI=1S/C23H14NO.C14H14N.Ir/c1-2-8-16(9-3-1)17-10-6-11-18-19-12-7-13-20(23(19)25-22(17)18)21-14-4-5-15-24-21;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;/h1-12,14-15H;3-6,8-11H,1-2H3;/q2*-1;
InChIKeyZURLYRUKAUHUFY-UHFFFAOYSA-N
XLogP9.78
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.86
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-4-propan-2-ylpyridine
CID 164797671
bis(iridium);2-(7-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 163719689
5-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine;iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 167357599
iridium;2-[6-(2,3,4,5,6-pentadeuteriophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;2-phenyl-5-(trideuteriomethyl)pyridine
CID 168730311
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-phenyl-5-propan-2-ylpyridine
CID 164798098
4-(2-deuteriopropan-2-yl)-2-[6-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575526
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
CID 153464747
4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 164797511
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 167388065
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
[6-(5-cyclohexyl-2-pyridinyl)-7H-dibenzofuran-7-id-4-yl]-trimethylsilane;iridium;2-phenyl-5-propan-2-ylpyridine
CID 155608944

Frequently Asked Questions

What is the IUPAC name of iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine?
The IUPAC name of iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine (CID 164797977) is iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine.
What is the SMILES notation for iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine?
The canonical SMILES for iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine is CC(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1ccc2c(oc3c(-c4ccccc4)cccc32)c1-c1ccccn1.
What is the InChIKey of iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine?
The InChIKey is ZURLYRUKAUHUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14NO.C14H14N.Ir/c1-2-8-16(9-3-1)17-10-6-11-18-19-12-7-13-20(23(19)25-22(17)18)21-14-4-5-15-24-21;1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;/h1-12,14-15H;3-6,8-11H,1-2H3;/q2*-1;.
What are the key properties of iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine?
iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine has a molecular weight of 708.86 g/mol, XLogP of 9.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-phenyl-5-propan-2-ylpyridine is sourced from PubChem (CID 164797977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).