iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide

C29H21IrN3O-2 — CID 153485042

IUPACiridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide
SMILES[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc2oc3c(-c4ccccn4)[c-]ccc3c2n1.[Ir]
InChIInChI=1S/C17H11N2O.C12H10N.Ir/c1-11-8-9-15-16(19-11)13-6-4-5-12(17(13)20-15)14-7-2-3-10-18-14;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h2-4,6-10H,1H3;2-5,7-9H,1H3;/q2*-1;/i2*1D3;
InChIKeyQFSMOJXUOZGCGL-CKFJQVKPSA-N
MW625.76 g/mol
LogP7.01
Rot. Bonds4

About iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide

iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide (PubChem CID 153485042) has the molecular formula C29H21IrN3O-2 and a molecular weight of 625.76 g/mol. Its IUPAC name is iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide.

Molecular Properties

Compound Nameiridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide
PubChem CID153485042
Molecular FormulaC29H21IrN3O-2
Molecular Weight625.76 g/mol
Exact Mass626.17
IUPAC Nameiridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide
SMILES[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc2oc3c(-c4ccccn4)[c-]ccc3c2n1.[Ir]
InChIInChI=1S/C17H11N2O.C12H10N.Ir/c1-11-8-9-15-16(19-11)13-6-4-5-12(17(13)20-15)14-7-2-3-10-18-14;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h2-4,6-10H,1H3;2-5,7-9H,1H3;/q2*-1;/i2*1D3;
InChIKeyQFSMOJXUOZGCGL-CKFJQVKPSA-N
XLogP7.01
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.76
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
5-(1-Methyl-1H-pyrazol-4-yl)-3-(3-(pyridin-4-yl)phenyl)furo[3,2-b]pyridine
CID 155891794
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
2-(1-Methylpyrrolidin-2-yl)furo[3,2-b]pyridine
CID 19597631
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798
2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]furo[3,2-b]pyridine
CID 24819159
3-[3-(1-Methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
CID 162647029
5-(1-Methylpyrazol-4-yl)-3-(3-piperidin-4-ylphenyl)furo[3,2-b]pyridine
CID 162670405
5-(1-Methylpyrazol-4-yl)-3-[3-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridine
CID 162674985
5-(2-methyl-2H-imidazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
CID 168275880
Tris-(5-pyridin-3-yl-furan-2-ylmethyl)-amine
CID 11785088
2-((S)-1-Methyl-pyrrolidin-2-yl)-furo[3,2-b]pyridine
CID 9882021

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide?
The IUPAC name of iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide (CID 153485042) is iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide.
What is the SMILES notation for iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide?
The canonical SMILES for iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide is [2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc2oc3c(-c4ccccn4)[c-]ccc3c2n1.[Ir].
What is the InChIKey of iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide?
The InChIKey is QFSMOJXUOZGCGL-CKFJQVKPSA-N. The full InChI is InChI=1S/C17H11N2O.C12H10N.Ir/c1-11-8-9-15-16(19-11)13-6-4-5-12(17(13)20-15)14-7-2-3-10-18-14;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;/h2-4,6-10H,1H3;2-5,7-9H,1H3;/q2*-1;/i2*1D3;.
What are the key properties of iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide?
iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide has a molecular weight of 625.76 g/mol, XLogP of 7.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-5-(trideuteriomethyl)pyridine;6-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide is sourced from PubChem (CID 153485042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).