iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione

C20H18IrNO2- — CID 164702305

IUPACiridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
SMILESCC(=O)CC(C)=O.[Ir].[c-]1ccc2ccccc2c1-c1ccccn1
InChIInChI=1S/C15H10N.C5H8O2.Ir/c1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-4(6)3-5(2)7;/h1-8,10-11H;3H2,1-2H3;/q-1;;
InChIKeyCAUJVYXXYHIDMM-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.25
Rot. Bonds3

About iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione

iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione (PubChem CID 164702305) has the molecular formula C20H18IrNO2- and a molecular weight of 496.59 g/mol. Its IUPAC name is iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione.

Molecular Properties

Compound Nameiridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
PubChem CID164702305
Molecular FormulaC20H18IrNO2-
Molecular Weight496.59 g/mol
Exact Mass497.10
IUPAC Nameiridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
SMILESCC(=O)CC(C)=O.[Ir].[c-]1ccc2ccccc2c1-c1ccccn1
InChIInChI=1S/C15H10N.C5H8O2.Ir/c1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-4(6)3-5(2)7;/h1-8,10-11H;3H2,1-2H3;/q-1;;
InChIKeyCAUJVYXXYHIDMM-UHFFFAOYSA-N
XLogP4.25
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione 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

bis(2-(2H-naphthalen-2-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621902
10H-imidazo[2,1-a]isoquinolin-10-ide;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine
CID 58517580
3-(2H-naphthalen-2-id-1-yl)-6-pyridin-2-yl-2H-pyridin-2-ide;yttrium
CID 58813552
iridium;methanol;5-(2-methylpropyl)-2-(2H-naphthalen-2-id-1-yl)pyridine
CID 154600620
bis(2-(2-naphthalen-1-ylbenzene-6-id-1-yl)pyridine);platinum(2+)
CID 58939493
(Z)-4-hydroxypent-3-en-2-one;iridium;3-(2H-naphthalen-2-id-1-yl)phenanthro[9,10-c]pyridine
CID 59575301
4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline
CID 169431906
2-(11,11-dimethyl-9H-benzo[a]fluoren-9-id-10-yl)pyridine;1,1,1,5,5,5-hexadeuteriopentane-2,4-diol;iridium
CID 168745310
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;iridium;pentane-2,4-dione
CID 59413495
2-chloropyridine;copper;pentane-2,4-dione
CID 174556580
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
1-pyridin-2-ylbutane-1,3-dione
CID 12707221

Frequently Asked Questions

What is the IUPAC name of iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione?
The IUPAC name of iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione (CID 164702305) is iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione.
What is the SMILES notation for iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione?
The canonical SMILES for iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione is CC(=O)CC(C)=O.[Ir].[c-]1ccc2ccccc2c1-c1ccccn1.
What is the InChIKey of iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione?
The InChIKey is CAUJVYXXYHIDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N.C5H8O2.Ir/c1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;1-4(6)3-5(2)7;/h1-8,10-11H;3H2,1-2H3;/q-1;;.
What are the key properties of iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione?
iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione has a molecular weight of 496.59 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione is sourced from PubChem (CID 164702305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).