2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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

C126H101F16IrN7O10OsP2Rh3S2-4 — CID 158417436

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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 158417436) has the molecular formula C126H101F16IrN7O10OsP2Rh3S2-4 and a molecular weight of 2994.45 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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 Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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: 158417436
• Molecular Formula: C126H101F16IrN7O10OsP2Rh3S2-4
• Molecular Weight: 2994.45 g/mol
• Exact Mass: 2995.27
• IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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
• SMILES: C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.Fc1c[c-]c(-c2ccccn2)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.OC(CC(O)c1ccccc1)c1ccccc1.[Ir].[Os].[Rh].[Rh].[Rh].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
• InChI: InChI=1S/C26H22P2.C22H16N2.C15H16O2.C13H8NS.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;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;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;1-10,14-17H,11H2;1-8H;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
• InChIKey: XJOHTMUORPAQAG-UHFFFAOYSA-N
• XLogP: 27.30
• TPSA: 288.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2994.45
LogP ≤ 5	27.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

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 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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 158417436) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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(-c2ccccn2)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.OC(CC(O)c1ccccc1)c1ccccc1.[Ir].[Os].[Rh].[Rh].[Rh].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.

What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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 XJOHTMUORPAQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22P2.C22H16N2.C15H16O2.C13H8NS.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;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;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;1-10,14-17H,11H2;1-8H;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 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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?

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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 2994.45 g/mol, XLogP of 27.30, 24 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;1,3-diphenylpropane-1,3-diol;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 158417436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).