bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine

C30H18F4IrN6-2 — CID 155643108

IUPACbis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].c1ccc(-c2cnncn2)nc1
InChIInChI=1S/2C11H6F2N.C8H6N4.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-4-9-7(3-1)8-5-11-12-6-10-8;/h2*1-4,6-7H;1-6H;/q2*-1;;
InChIKeyYRRUCXAWGCAINO-UHFFFAOYSA-N
MW730.73 g/mol
LogP6.59
Rot. Bonds3

About bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine

bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine (PubChem CID 155643108) has the molecular formula C30H18F4IrN6-2 and a molecular weight of 730.73 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine.

Molecular Properties

Compound Namebis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine
PubChem CID155643108
Molecular FormulaC30H18F4IrN6-2
Molecular Weight730.73 g/mol
Exact Mass731.12
IUPAC Namebis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].c1ccc(-c2cnncn2)nc1
InChIInChI=1S/2C11H6F2N.C8H6N4.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-4-9-7(3-1)8-5-11-12-6-10-8;/h2*1-4,6-7H;1-6H;/q2*-1;;
InChIKeyYRRUCXAWGCAINO-UHFFFAOYSA-N
XLogP6.59
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.73
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine 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

carbanide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;platinum
CID 21044191
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;iridium
CID 20807217
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));pyridine;pyridine-2-thiolate;sulfanide
CID 140714185
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;5-phenyl-2-phenylpyridine
CID 168823172
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-difluoro-2-pyridin-2-ylpyridine;platinum;platinum(2+);bis(pyridine-2-thiolate)
CID 140791491
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium
CID 20807199
chloroplatinum(1+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;diphenyl(pyridin-2-yl)phosphanium
CID 164576028
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);1H-imidazole;iridium(3+);cyanide
CID 59716120
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;1-methylpyridin-1-ium-2-carboxylic acid
CID 58037200
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729593
bis(chloroiridium(2+));tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-fluoropyridine)
CID 167994729
bis(chloroiridium(2+));tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine)
CID 167994726

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine?
The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine (CID 155643108) is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine.
What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine?
The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine is Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].c1ccc(-c2cnncn2)nc1.
What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine?
The InChIKey is YRRUCXAWGCAINO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H6F2N.C8H6N4.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-4-9-7(3-1)8-5-11-12-6-10-8;/h2*1-4,6-7H;1-6H;/q2*-1;;.
What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine?
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine has a molecular weight of 730.73 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-pyridin-2-yl-1,2,4-triazine is sourced from PubChem (CID 155643108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).