3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide

C116H101F16N7O10OsP2PdRh3S2-4 — CID 158214870

About 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide

3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide (PubChem CID 158214870) has the molecular formula C116H101F16N7O10OsP2PdRh3S2-4 and a molecular weight of 2788.54 g/mol. Its IUPAC name is 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide.

Molecular Properties

• Compound Name: 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide
• PubChem CID: 158214870
• Molecular Formula: C116H101F16N7O10OsP2PdRh3S2-4
• Molecular Weight: 2788.54 g/mol
• Exact Mass: 2788.21
• IUPAC Name: 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide
• SMILES: C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.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.[Os].[Pd].[Rh].[Rh].[Rh].[c-]1ccccc1-c1ccccn1.[c-]1ccsc1.[c-]1csc2ccccc12.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/C26H22P2.C22H16N2.C11H6F2N.C11H8N.C8H5S.C6H5NO2.2C5H5N.2C5H12O2.2C4HF7O2.C4H3S.Os.Pd.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;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;1-2-4-8-7(3-1)5-6-9-8;8-6(9)5-3-1-2-4-7-5;2*1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;1-2-4-5-3-1;;;;;/h1-22H;1-16H;1-4,6-7H;1-6,8-9H;1-4,6H;1-4H,(H,8,9);2*1-5H;2*4-7H,3H2,1-2H3;2*(H,12,13);1,3-4H;;;;;/q;;3*-1;;;;;;;;-1
• InChIKey: COJSUBBASPNFHO-UHFFFAOYSA-N
• XLogP: 24.64
• TPSA: 288.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2788.54
LogP ≤ 5	24.64
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 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide?

The IUPAC name of 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide (CID 158214870) is 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide.

What is the SMILES notation for 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide?

The canonical SMILES for 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide is C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CC(O)CC(C)O.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.[Os].[Pd].[Rh].[Rh].[Rh].[c-]1ccccc1-c1ccccn1.[c-]1ccsc1.[c-]1csc2ccccc12.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccncc1.c1ccncc1.

What is the InChIKey of 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide?

The InChIKey is COJSUBBASPNFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22P2.C22H16N2.C11H6F2N.C11H8N.C8H5S.C6H5NO2.2C5H5N.2C5H12O2.2C4HF7O2.C4H3S.Os.Pd.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;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;1-2-4-8-7(3-1)5-6-9-8;8-6(9)5-3-1-2-4-7-5;2*1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;2*5-2(6,1(12)13)3(7,8)4(9,10)11;1-2-4-5-3-1;;;;;/h1-22H;1-16H;1-4,6-7H;1-6,8-9H;1-4,6H;1-4H,(H,8,9);2*1-5H;2*4-7H,3H2,1-2H3;2*(H,12,13);1,3-4H;;;;;/q;;3*-1;;;;;;;;-1;;;;;.

What are the key properties of 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide?

3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide has a molecular weight of 2788.54 g/mol, XLogP of 24.64, 20 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3H-1-benzothiophen-3-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);osmium;palladium;bis(pentane-2,4-diol);4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;2-phenylpyridine;bis(pyridine);pyridine-2-carboxylic acid;tris(rhodium);3H-thiophen-3-ide is sourced from PubChem (CID 158214870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).