benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine

C119H103F18Ir3N6O10OsP2RhS-5 — CID 157358864

About benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine

benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 157358864) has the molecular formula C119H103F18Ir3N6O10OsP2RhS-5 and a molecular weight of 3082.93 g/mol. Its IUPAC name is benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

• Compound Name: benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine
• PubChem CID: 157358864
• Molecular Formula: C119H103F18Ir3N6O10OsP2RhS-5
• Molecular Weight: 3082.93 g/mol
• Exact Mass: 3085.42
• IUPAC Name: benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine
• SMILES: C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.CC(O)CC(C)O.Cc1[c-]c(-c2ccccn2)cc(C)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O=C(O)c1[c-]cccc1.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].[Ir].[Ir].[Os].[Rh].[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
• InChI: InChI=1S/C26H22P2.C22H16N2.C13H12N.C12H6F4N.C12H10N.C9H6NS.C7H5O2.2C5H12O2.2C4HF7O2.3Ir.Os.Rh/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;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-6-10-8(4-1)9-5-3-7-11-9;8-7(9)6-4-2-1-3-5-6;2*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;3-8H,1-2H3;1,3-7H;1-6,8-9H,10H2;1-4,6-7H;1-4H,(H,8,9);2*4-7H,3H2,1-2H3;2*(H,12,13);;;;;/q;;5*-1
• InChIKey: MUVSFJOUCLWDKS-UHFFFAOYSA-N
• XLogP: 25.21
• TPSA: 275.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3082.93
LogP ≤ 5	25.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

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'}

Frequently Asked Questions

What is the IUPAC name of benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine?

The IUPAC name of benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine (CID 157358864) is benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine.

What is the SMILES notation for benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine?

The canonical SMILES for benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine is C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.CC(O)CC(C)O.Cc1[c-]c(-c2ccccn2)cc(C)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)cc1.O=C(O)c1[c-]cccc1.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].[Ir].[Ir].[Os].[Rh].[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.

What is the InChIKey of benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine?

The InChIKey is MUVSFJOUCLWDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22P2.C22H16N2.C13H12N.C12H6F4N.C12H10N.C9H6NS.C7H5O2.2C5H12O2.2C4HF7O2.3Ir.Os.Rh/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;1-10-7-11(2)9-12(8-10)13-5-3-4-6-14-13;13-10-4-1-8(2-5-10)11-6-3-9(7-17-11)12(14,15)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-6-10-8(4-1)9-5-3-7-11-9;8-7(9)6-4-2-1-3-5-6;2*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;3-8H,1-2H3;1,3-7H;1-6,8-9H,10H2;1-4,6-7H;1-4H,(H,8,9);2*4-7H,3H2,1-2H3;2*(H,12,13);;;;;/q;;5*-1;;;;;;;;;.

What are the key properties of benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine?

benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 3082.93 g/mol, XLogP of 25.21, 23 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for benzoic acid;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;rhodium;2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 157358864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).