3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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

C110H83F20IrN7O8OsP2Rh3S-4 — CID 158076500

IUPAC3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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
SMILESC(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1cnc(-c2[c-]cccc2)c(F)c1.O=C(O)c1ccccn1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ir].[Os].[Rh].[Rh].[Rh].[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
InChIInChI=1S/C26H22P2.C22H16N2.C12H6F4N.C11H6F2N.C11H8N.C9H6NS.C6H5NO2.C5H12O2.2C4HF7O2.Ir.Os.3Rh/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;12-9-6-10(13)11(14-7-9)8-4-2-1-3-5-8;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;;/h1-22H;1-16H;1,3-7H;1-4,6-7H;1-6,8-9H;1-4,6-7H;1-4H,(H,8,9);4-7H,3H2,1-2H3;2*(H,12,13);;;;;/q;;4*-1;;;;;;;;;
InChIKeyKSZFYYMHHRBOBO-UHFFFAOYSA-N
MW2796.05 g/mol
LogP24.40
Rot. Bonds20

About 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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

3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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 (PubChem CID 158076500) has the molecular formula C110H83F20IrN7O8OsP2Rh3S-4 and a molecular weight of 2796.05 g/mol. Its IUPAC name is 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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.

Molecular Properties

Compound Name3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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
PubChem CID158076500
Molecular FormulaC110H83F20IrN7O8OsP2Rh3S-4
Molecular Weight2796.05 g/mol
Exact Mass2797.16
IUPAC Name3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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
SMILESC(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1cnc(-c2[c-]cccc2)c(F)c1.O=C(O)c1ccccn1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ir].[Os].[Rh].[Rh].[Rh].[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
InChIInChI=1S/C26H22P2.C22H16N2.C12H6F4N.C11H6F2N.C11H8N.C9H6NS.C6H5NO2.C5H12O2.2C4HF7O2.Ir.Os.3Rh/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;12-9-6-10(13)11(14-7-9)8-4-2-1-3-5-8;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;;/h1-22H;1-16H;1,3-7H;1-4,6-7H;1-6,8-9H;1-4,6-7H;1-4H,(H,8,9);4-7H,3H2,1-2H3;2*(H,12,13);;;;;/q;;4*-1;;;;;;;;;
InChIKeyKSZFYYMHHRBOBO-UHFFFAOYSA-N
XLogP24.40
TPSA248.25 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002796.05
LogP ≤ 524.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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 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

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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?
The IUPAC name of 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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 158076500) is 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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.
What is the SMILES notation for 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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?
The canonical SMILES for 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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 is C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.Fc1cnc(-c2[c-]cccc2)c(F)c1.O=C(O)c1ccccn1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Ir].[Os].[Rh].[Rh].[Rh].[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.
What is the InChIKey of 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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?
The InChIKey is KSZFYYMHHRBOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22P2.C22H16N2.C12H6F4N.C11H6F2N.C11H8N.C9H6NS.C6H5NO2.C5H12O2.2C4HF7O2.Ir.Os.3Rh/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;12-9-6-10(13)11(14-7-9)8-4-2-1-3-5-8;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;;;;;/h1-22H;1-16H;1,3-7H;1-4,6-7H;1-6,8-9H;1-4,6-7H;1-4H,(H,8,9);4-7H,3H2,1-2H3;2*(H,12,13);;;;;/q;;4*-1;;;;;;;;;.
What are the key properties of 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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?
3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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 has a molecular weight of 2796.05 g/mol, XLogP of 24.40, 20 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-phenylpyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;bis(2,2,3,3,4,4,4-heptafluorobutanoate);iridium;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 is sourced from PubChem (CID 158076500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).