tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid)

C78H66F8Ir4N7O6Pt-5 — CID 159423148

IUPACtris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid)
SMILESCC(O)CC(C)O.Fc1c[c-]cc(F)c1.Fc1c[c-]cc(F)c1.Fc1c[c-]cc(F)c1.Fc1ccc(-c2c[c-]cc(F)c2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C12H7F2.C11H8N.3C6H3F2.2C6H5NO2.4C5H5N.C5H12O2.4Ir.Pt/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*7-5-2-1-3-6(8)4-5;2*8-6(9)5-3-1-2-4-7-5;4*1-2-4-6-5-3-1;1-4(6)3-5(2)7;;;;;/h2-8H;1-6,8-9H;3*2-4H;2*1-4H,(H,8,9);4*1-5H;4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;;;
InChIKeyPLRXJGGXTQIRFL-UHFFFAOYSA-N
MW2313.36 g/mol
LogP17.29
Rot. Bonds6

About tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid)

tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid) (PubChem CID 159423148) has the molecular formula C78H66F8Ir4N7O6Pt-5 and a molecular weight of 2313.36 g/mol. Its IUPAC name is tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid).

Molecular Properties

Compound Nametris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid)
PubChem CID159423148
Molecular FormulaC78H66F8Ir4N7O6Pt-5
Molecular Weight2313.36 g/mol
Exact Mass2315.31
IUPAC Nametris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid)
SMILESCC(O)CC(C)O.Fc1c[c-]cc(F)c1.Fc1c[c-]cc(F)c1.Fc1c[c-]cc(F)c1.Fc1ccc(-c2c[c-]cc(F)c2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C12H7F2.C11H8N.3C6H3F2.2C6H5NO2.4C5H5N.C5H12O2.4Ir.Pt/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*7-5-2-1-3-6(8)4-5;2*8-6(9)5-3-1-2-4-7-5;4*1-2-4-6-5-3-1;1-4(6)3-5(2)7;;;;;/h2-8H;1-6,8-9H;3*2-4H;2*1-4H,(H,8,9);4*1-5H;4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;;;
InChIKeyPLRXJGGXTQIRFL-UHFFFAOYSA-N
XLogP17.29
TPSA205.29 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002313.36
LogP ≤ 517.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid) with MolForge

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Related Compounds

Tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
Iridium;2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;pyridine-2-carboxylic acid
CID 136013306
iridium;bis(6-methoxy-2-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide);pyridine-2-carboxylic acid
CID 140628687
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157109008
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyridine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157213762
bis(2,6-dimethoxy-3-pyridin-2-yl-4H-pyridin-4-ide);bis(2,6-dimethoxy-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide);tetrakis(iridium);bis(6-methoxy-2-methyl-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(6-methoxy-2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide);tetrakis(pyridine-2-carboxylic acid)
CID 157304481
Benzene;bis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);2-(methyliminomethyl)phenol;pyridine;pyridine-2-carboxylic acid;2-pyridin-2-ylpyridine;chloride
CID 157460863
Bis(2-(3,5-difluorobenzene-6-id-1-yl)-3-(3,5-difluorophenyl)quinoxaline);tetrakis(iridium);2-methyl-3-phenylquinoxaline;2-(4-methylphenyl)-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;bis(pentane-2,4-diol);bis(pyridine-2-carboxylic acid)
CID 157526056
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;pentane-2,4-diol;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;pyridine-2-carboxylic acid;tris(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine
CID 157577721
2-(3,5-Dimethylbenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);tris(iridium);osmium;bis(pentane-2,4-diol);2-(phenylmethyl)pyridine;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;pyridine-2-carboxylic acid;rhodium
CID 157711881
Tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-[4-fluoro-2-(4-fluorophenyl)benzene-6-id-1-yl]pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4-hydroxypent-3-en-2-one;tris(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;platinum;platinum(2+);bis(pyridine-2-carboxylic acid)
CID 157740792
2-(2,4-difluorobenzene-6-id-1-yl)-4-fluoropyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-difluoro-3-[3-methyl-5-(trifluoromethyl)phenyl]benzene-6-id-1-yl]-5-methylpyridine;2-(1,2-dihydropyrrol-2-id-3-yl)pyridine;2-(1,3-dihydropyrrol-3-id-4-yl)pyridine;4-fluoro-2-(4H-pyridin-4-id-3-yl)pyridine;decakis(iridium);2-methyl-6-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine;pyridine-2-carboxylic acid;2-pyridin-2-yl-3H-pyridin-3-ide;4-pyridin-2-yl-3H-pyridin-3-ide;2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine
CID 157749869

Frequently Asked Questions

What is the IUPAC name of tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid)?
The IUPAC name of tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid) (CID 159423148) is tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid).
What is the SMILES notation for tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid)?
The canonical SMILES for tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid) is CC(O)CC(C)O.Fc1c[c-]cc(F)c1.Fc1c[c-]cc(F)c1.Fc1c[c-]cc(F)c1.Fc1ccc(-c2c[c-]cc(F)c2)cc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid)?
The InChIKey is PLRXJGGXTQIRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2.C11H8N.3C6H3F2.2C6H5NO2.4C5H5N.C5H12O2.4Ir.Pt/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10;1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*7-5-2-1-3-6(8)4-5;2*8-6(9)5-3-1-2-4-7-5;4*1-2-4-6-5-3-1;1-4(6)3-5(2)7;;;;;/h2-8H;1-6,8-9H;3*2-4H;2*1-4H,(H,8,9);4*1-5H;4-7H,3H2,1-2H3;;;;;/q5*-1;;;;;;;;;;;;.
What are the key properties of tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid)?
tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid) has a molecular weight of 2313.36 g/mol, XLogP of 17.29, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,3-difluorobenzene-5-ide);1-fluoro-3-(4-fluorophenyl)benzene-5-ide;tetrakis(iridium);pentane-2,4-diol;2-phenylpyridine;platinum;tetrakis(pyridine);bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 159423148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).