iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)

C27H24IrN9 — CID 159822553

IUPACiridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)
SMILESCc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.[Ir+3]
InChIInChI=1S/3C9H8N3.Ir/c3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;/h3*2-6H,1H3;/q3*-1;+3
InChIKeyNMKSDHUPIGQQIK-UHFFFAOYSA-N
MW666.77 g/mol
LogP4.23
Rot. Bonds3

About iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)

iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine) (PubChem CID 159822553) has the molecular formula C27H24IrN9 and a molecular weight of 666.77 g/mol. Its IUPAC name is iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine).

Molecular Properties

Compound Nameiridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)
PubChem CID159822553
Molecular FormulaC27H24IrN9
Molecular Weight666.77 g/mol
Exact Mass667.18
IUPAC Nameiridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)
SMILESCc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.[Ir+3]
InChIInChI=1S/3C9H8N3.Ir/c3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;/h3*2-6H,1H3;/q3*-1;+3
InChIKeyNMKSDHUPIGQQIK-UHFFFAOYSA-N
XLogP4.23
TPSA119.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500666.77
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine) 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

2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 22090468
iridium;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 20807299
2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum;bis(yttrium)
CID 148900201
zinc;carbanide;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 156628337
bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);phosphane
CID 58788802
benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium
CID 158549694
2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc
CID 58858981
3-methyl-5-phenylpyrazol-1-ide;2-(4-methylpyrrol-1-id-2-yl)pyridine;platinum
CID 171055621
iridium(3+);2-(5-methylpyrazol-2-id-3-yl)-6-[3-[[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-2-pyridinyl]oxy]benzene-2-id-1-yl]oxypyridine
CID 140597831
bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158317289
2-(3-tert-butylpyrazol-1-id-5-yl)pyridine;4-(3-tert-butylpyrazol-1-id-5-yl)pyrimidine;platinum(2+)
CID 140723069
bis(2,6-dipyridin-2-ylpyridine);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate;dihydrate
CID 11251912

Frequently Asked Questions

What is the IUPAC name of iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)?
The IUPAC name of iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine) (CID 159822553) is iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine).
What is the SMILES notation for iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)?
The canonical SMILES for iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine) is Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.[Ir+3].
What is the InChIKey of iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)?
The InChIKey is NMKSDHUPIGQQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8N3.Ir/c3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;/h3*2-6H,1H3;/q3*-1;+3.
What are the key properties of iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)?
iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine) has a molecular weight of 666.77 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine) is sourced from PubChem (CID 159822553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).