diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C37H27F6IrN6P+ — CID 59757589

IUPACdiphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir+3].[c-]1ccccc1C[PH+](c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16P.2C9H5F3N3.Ir/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-10,12-15H,16H2;2*1-5H;/q3*-1;+3/p+1
InChIKeyONIGWFQRKQMHCR-UHFFFAOYSA-O
MW892.84 g/mol
LogP8.09
Rot. Bonds6

About diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 59757589) has the molecular formula C37H27F6IrN6P+ and a molecular weight of 892.84 g/mol. Its IUPAC name is diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

Compound Namediphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
PubChem CID59757589
Molecular FormulaC37H27F6IrN6P+
Molecular Weight892.84 g/mol
Exact Mass893.16
IUPAC Namediphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir+3].[c-]1ccccc1C[PH+](c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16P.2C9H5F3N3.Ir/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-10,12-15H,16H2;2*1-5H;/q3*-1;+3/p+1
InChIKeyONIGWFQRKQMHCR-UHFFFAOYSA-O
XLogP8.09
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.84
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-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

Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate
CID 139131683
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
Bis(platinum(2+));propan-2-one;bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139141460
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum(2+);triphenylphosphanium
CID 168345668
bis(copper(1+));bis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);bis(2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine);diperchlorate
CID 168348413
Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168354058
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20625479

Frequently Asked Questions

What is the IUPAC name of diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The IUPAC name of diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 59757589) is diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).
What is the SMILES notation for diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The canonical SMILES for diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir+3].[c-]1ccccc1C[PH+](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The InChIKey is ONIGWFQRKQMHCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16P.2C9H5F3N3.Ir/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-10,12-15H,16H2;2*1-5H;/q3*-1;+3/p+1.
What are the key properties of diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 892.84 g/mol, XLogP of 8.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(phenylmethyl)phosphanium;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 59757589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).