iridium;tris(5-phenyl-1H-pyrazole)

C27H24IrN6 — CID 71306702

IUPACiridium;tris(5-phenyl-1H-pyrazole)
SMILES[Ir].c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/3C9H8N2.Ir/c3*1-2-4-8(5-3-1)9-6-7-10-11-9;/h3*1-7H,(H,10,11);
InChIKeyGQWGMLKQXOLVQJ-UHFFFAOYSA-N
MW624.75 g/mol
LogP6.23
Rot. Bonds3

About iridium;tris(5-phenyl-1H-pyrazole)

iridium;tris(5-phenyl-1H-pyrazole) (PubChem CID 71306702) has the molecular formula C27H24IrN6 and a molecular weight of 624.75 g/mol. Its IUPAC name is iridium;tris(5-phenyl-1H-pyrazole).

Molecular Properties

Compound Nameiridium;tris(5-phenyl-1H-pyrazole)
PubChem CID71306702
Molecular FormulaC27H24IrN6
Molecular Weight624.75 g/mol
Exact Mass625.17
IUPAC Nameiridium;tris(5-phenyl-1H-pyrazole)
SMILES[Ir].c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/3C9H8N2.Ir/c3*1-2-4-8(5-3-1)9-6-7-10-11-9;/h3*1-7H,(H,10,11);
InChIKeyGQWGMLKQXOLVQJ-UHFFFAOYSA-N
XLogP6.23
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.75
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze iridium;tris(5-phenyl-1H-pyrazole) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of iridium;tris(5-phenyl-1H-pyrazole)?
The IUPAC name of iridium;tris(5-phenyl-1H-pyrazole) (CID 71306702) is iridium;tris(5-phenyl-1H-pyrazole).
What is the SMILES notation for iridium;tris(5-phenyl-1H-pyrazole)?
The canonical SMILES for iridium;tris(5-phenyl-1H-pyrazole) is [Ir].c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of iridium;tris(5-phenyl-1H-pyrazole)?
The InChIKey is GQWGMLKQXOLVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8N2.Ir/c3*1-2-4-8(5-3-1)9-6-7-10-11-9;/h3*1-7H,(H,10,11);.
What are the key properties of iridium;tris(5-phenyl-1H-pyrazole)?
iridium;tris(5-phenyl-1H-pyrazole) has a molecular weight of 624.75 g/mol, XLogP of 6.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;tris(5-phenyl-1H-pyrazole) is sourced from PubChem (CID 71306702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).