bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C82H77F3Ir4N10OsP2-2 — CID 158459516

IUPACbis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESC[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C13H12N.2C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.4Ir.Os/c1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;;;;;/h3-4,6-9H,1-2H3;2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;;;;;/q6*-1;;;;;;;+2/p+2
InChIKeySPNNCXCWXIQWEY-UHFFFAOYSA-P
MW2280.63 g/mol
LogP18.52
Rot. Bonds8

About bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158459516) has the molecular formula C82H77F3Ir4N10OsP2-2 and a molecular weight of 2280.63 g/mol. Its IUPAC name is bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Namebis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID158459516
Molecular FormulaC82H77F3Ir4N10OsP2-2
Molecular Weight2280.63 g/mol
Exact Mass2284.39
IUPAC Namebis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESC[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C13H12N.2C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.4Ir.Os/c1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;;;;;/h3-4,6-9H,1-2H3;2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;;;;;/q6*-1;;;;;;;+2/p+2
InChIKeySPNNCXCWXIQWEY-UHFFFAOYSA-P
XLogP18.52
TPSA131.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002280.63
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Related Compounds

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
Gross107 (Sudhakar)
CID 139174614
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
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
Methyl(diphenyl)phosphanium;methylphosphane;osmium(2+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57604186
Bis(3,5-dimethylpyrazol-1-ide);bis(platinum(2+));bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772371
Bis(3,5-dimethylpyrazol-1-ide);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772374
Bis(platinum(2+));bis(pyrazol-1-ide);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 57772377
2-(3-Fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));bis(pyrazol-1-ide);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772380
Bis(3,5-dimethylpyrazol-1-ide);2-(3-fluoropyrazol-1-id-5-yl)pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 57772381
2,6-Bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(2,4-difluoro-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iridium(3+)
CID 57796219
2,6-Bis[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;iridium(3+);1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole
CID 57796271

Frequently Asked Questions

What is the IUPAC name of bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158459516) is bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc[c-]c(-c2cc(C)ccn2)c1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Ir].[Os+2].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is SPNNCXCWXIQWEY-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H12N.2C12H10N.C11H8N.C9H5F3N3.C9H8N3.2C8H11P.4Ir.Os/c1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;;;;;/h3-4,6-9H,1-2H3;2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;1-5H;2-6H,1H3;2*3-7H,1-2H3;;;;;/q6*-1;;;;;;;+2/p+2.
What are the key properties of bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2280.63 g/mol, XLogP of 18.52, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethyl(phenyl)phosphanium);tetrakis(iridium);4-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158459516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).