tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C114H79ClF16Ir6N23O4P2-11 — CID 158797368

IUPACtris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCPc1ccccc1PC.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1nc[n-]c1-c1ccccn1.FC(F)(F)c1ncc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[O-][Cl+3]([O-])([O-])O.[c-]1ccccc1-c1ccccn1.c1ccc(-c2cnc[n-]2)nc1.c1ccc(-c2cnc[n-]2)nc1.c1ccc(-c2cnc[n-]2)nc1
InChIInChI=1S/3C11H6F2N.C11H7FN.C11H8N.3C9H5F3N3.3C8H6N3.C8H12P2.ClHO4.6Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-7(14-5-15-8)6-3-1-2-4-13-6;10-9(11,12)8-14-5-7(15-8)6-3-1-2-4-13-6;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-2-4-10-7(3-1)8-5-9-6-11-8;1-9-7-5-3-4-6-8(7)10-2;2-1(3,4)5;;;;;;/h3*1-4,6-7H;1-4,6-8H;1-6,8-9H;3*1-5H;3*1-6H;3-6,9-10H,1-2H3;(H,2,3,4,5);;;;;;/q11*-1;;;;;;;;
InChIKeyMXKCLAXDVBLLOA-UHFFFAOYSA-N
MW3389.71 g/mol
LogP20.79
Rot. Bonds13

About tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158797368) has the molecular formula C114H79ClF16Ir6N23O4P2-11 and a molecular weight of 3389.71 g/mol. Its IUPAC name is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Nametris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID158797368
Molecular FormulaC114H79ClF16Ir6N23O4P2-11
Molecular Weight3389.71 g/mol
Exact Mass3392.34
IUPAC Nametris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCPc1ccccc1PC.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1nc[n-]c1-c1ccccn1.FC(F)(F)c1ncc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[O-][Cl+3]([O-])([O-])O.[c-]1ccccc1-c1ccccn1.c1ccc(-c2cnc[n-]2)nc1.c1ccc(-c2cnc[n-]2)nc1.c1ccc(-c2cnc[n-]2)nc1
InChIInChI=1S/3C11H6F2N.C11H7FN.C11H8N.3C9H5F3N3.3C8H6N3.C8H12P2.ClHO4.6Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-7(14-5-15-8)6-3-1-2-4-13-6;10-9(11,12)8-14-5-7(15-8)6-3-1-2-4-13-6;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-2-4-10-7(3-1)8-5-9-6-11-8;1-9-7-5-3-4-6-8(7)10-2;2-1(3,4)5;;;;;;/h3*1-4,6-7H;1-4,6-8H;1-6,8-9H;3*1-5H;3*1-6H;3-6,9-10H,1-2H3;(H,2,3,4,5);;;;;;/q11*-1;;;;;;;;
InChIKeyMXKCLAXDVBLLOA-UHFFFAOYSA-N
XLogP20.79
TPSA393.14 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003389.71
LogP ≤ 520.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Related Compounds

2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729593
2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane
CID 23531572
3-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793697
3-(4-fluorobenzene-6-id-1-yl)-6-methylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793708
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;iridium
CID 20807199
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoroimidazol-3-id-4-yl)pyridine;iridium
CID 20807217
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;5-phenyl-2-phenylpyridine
CID 168823172
2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium;2-phenylpyridine
CID 162483808
2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58880819
2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylpyridine;iridium;2-phenylpyridine
CID 168821524
2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-phenylpyridine;platinum;platinum(2+);pyridine-2-carboxylic acid;tetrakis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 157442160
2-(2,4-difluorobenzene-6-id-1-yl)-6-phenylpyridine;2-(2,4-dimethyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;iridium(3+)
CID 58898335

Frequently Asked Questions

What is the IUPAC name of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158797368) is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CPc1ccccc1PC.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1nc[n-]c1-c1ccccn1.FC(F)(F)c1ncc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[O-][Cl+3]([O-])([O-])O.[c-]1ccccc1-c1ccccn1.c1ccc(-c2cnc[n-]2)nc1.c1ccc(-c2cnc[n-]2)nc1.c1ccc(-c2cnc[n-]2)nc1.
What is the InChIKey of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is MXKCLAXDVBLLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H6F2N.C11H7FN.C11H8N.3C9H5F3N3.3C8H6N3.C8H12P2.ClHO4.6Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-7(14-5-15-8)6-3-1-2-4-13-6;10-9(11,12)8-14-5-7(15-8)6-3-1-2-4-13-6;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-2-4-10-7(3-1)8-5-9-6-11-8;1-9-7-5-3-4-6-8(7)10-2;2-1(3,4)5;;;;;;/h3*1-4,6-7H;1-4,6-8H;1-6,8-9H;3*1-5H;3*1-6H;3-6,9-10H,1-2H3;(H,2,3,4,5);;;;;;/q11*-1;;;;;;;;.
What are the key properties of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3389.71 g/mol, XLogP of 20.79, 13 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)pyridine;tris(2-imidazol-3-id-4-ylpyridine);hexakis(iridium);methyl-(2-methylphosphanylphenyl)phosphane;perchloric acid;2-phenylpyridine;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[5-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158797368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).