iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole

C16H11IrN2O2- — CID 59858963

IUPACiridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole
SMILESCOc1ccc2oc3c(-n4cccn4)[c-]ccc3c2c1.[Ir]
InChIInChI=1S/C16H11N2O2.Ir/c1-19-11-6-7-15-13(10-11)12-4-2-5-14(16(12)20-15)18-9-3-8-17-18;/h2-4,6-10H,1H3;/q-1;
InChIKeyFWBZMFNJNPIYQJ-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.58
Rot. Bonds2

About iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole

iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole (PubChem CID 59858963) has the molecular formula C16H11IrN2O2- and a molecular weight of 455.49 g/mol. Its IUPAC name is iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole.

Molecular Properties

Compound Nameiridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole
PubChem CID59858963
Molecular FormulaC16H11IrN2O2-
Molecular Weight455.49 g/mol
Exact Mass456.05
IUPAC Nameiridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole
SMILESCOc1ccc2oc3c(-n4cccn4)[c-]ccc3c2c1.[Ir]
InChIInChI=1S/C16H11N2O2.Ir/c1-19-11-6-7-15-13(10-11)12-4-2-5-14(16(12)20-15)18-9-3-8-17-18;/h2-4,6-10H,1H3;/q-1;
InChIKeyFWBZMFNJNPIYQJ-UHFFFAOYSA-N
XLogP3.58
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole 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

1-(7-methoxydibenzofuran-4-yl)pyrazole
CID 59859015
1-(2H-dibenzofuran-2-id-1-yl)pyrazole;iridium
CID 59858920
4-methoxy-2-pyrazol-1-ylaniline
CID 16744027
tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ylium);iridium
CID 176851543
6-methoxy-4-pyrazol-1-yl-2H-isoquinolin-1-one
CID 70979009
3-methoxy-5-pyrazol-1-ylphenol
CID 165141321
1-(2-tert-butyl-4-methoxyphenyl)pyrazole
CID 160761915
hexakis(iridium);4-pyrazol-1-yl-3H-[1]benzofuro[3,2-b]pyridin-3-ide;6-pyrazol-1-yl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;8-pyrazol-1-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-pyrazol-1-yl-3H-[1]benzofuro[3,2-c]pyridin-3-ide;6-pyrazol-1-yl-7H-[1]benzofuro[3,2-c]pyridin-7-ide;8-pyrazol-1-yl-7H-[1]benzofuro[2,3-c]pyridin-7-ide
CID 162184866
4-(4-methoxy-2-pyrazol-1-ylphenyl)furo[3,2-c]pyridine
CID 50982459
1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium
CID 140735894
2-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 110272886
1,4-dihydroxy-7-methoxyxanthen-9-one
CID 15819467

Frequently Asked Questions

What is the IUPAC name of iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole?
The IUPAC name of iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole (CID 59858963) is iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole.
What is the SMILES notation for iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole?
The canonical SMILES for iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole is COc1ccc2oc3c(-n4cccn4)[c-]ccc3c2c1.[Ir].
What is the InChIKey of iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole?
The InChIKey is FWBZMFNJNPIYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N2O2.Ir/c1-19-11-6-7-15-13(10-11)12-4-2-5-14(16(12)20-15)18-9-3-8-17-18;/h2-4,6-10H,1H3;/q-1;.
What are the key properties of iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole?
iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole has a molecular weight of 455.49 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole is sourced from PubChem (CID 59858963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).