bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine

C172H139F7Ir10N12O12S3-10 — CID 159389050

About bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 159389050) has the molecular formula C172H139F7Ir10N12O12S3-10 and a molecular weight of 4717.43 g/mol. Its IUPAC name is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

• Compound Name: bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine
• PubChem CID: 159389050
• Molecular Formula: C172H139F7Ir10N12O12S3-10
• Molecular Weight: 4717.43 g/mol
• Exact Mass: 4722.60
• IUPAC Name: bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccsc1-c1ccccn1
• InChI: InChI=1S/C17H12N.C15H10N.C15H12O2.C13H9F3N.2C13H8NS.2C11H6F2N.2C11H8N.C11H20O2.C9H6NS.2C6H5NO2.2C5H8O2.10Ir/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-9-7-11(10-5-3-2-4-6-10)17-12(8-9)13(14,15)16;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-6-10-8(4-1)9-5-3-7-11-9;2*8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;;;;;;/h1-9,11-13H;1-7,9-11H;1-11,16H;2-5,7-8H,1H3;2*1-8H;2*1-4,6-7H;2*1-6,8-9H;7,12H,1-6H3;1-4,6-7H;2*1-4H,(H,8,9);2*3,6H,1-2H3;;;;;;;;;;/q2*-1;;7*-1;;-1
• InChIKey: DWULADXSWZEMHN-UHFFFAOYSA-N
• XLogP: 42.85
• TPSA: 378.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4717.43
LogP ≤ 5	42.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine?

The IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine (CID 159389050) is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine.

What is the SMILES notation for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine?

The canonical SMILES for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.Cc1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(C=C(O)c1ccccc1)c1ccccc1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccsc1-c1ccccn1.

What is the InChIKey of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine?

The InChIKey is DWULADXSWZEMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N.C15H10N.C15H12O2.C13H9F3N.2C13H8NS.2C11H6F2N.2C11H8N.C11H20O2.C9H6NS.2C6H5NO2.2C5H8O2.10Ir/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-9-7-11(10-5-3-2-4-6-10)17-12(8-9)13(14,15)16;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-6-10-8(4-1)9-5-3-7-11-9;2*8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;;;;;;/h1-9,11-13H;1-7,9-11H;1-11,16H;2-5,7-8H,1H3;2*1-8H;2*1-4,6-7H;2*1-6,8-9H;7,12H,1-6H3;1-4,6-7H;2*1-4H,(H,8,9);2*3,6H,1-2H3;;;;;;;;;;/q2*-1;;7*-1;;-1;;;;;;;;;;;;;;.

What are the key properties of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine?

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 4717.43 g/mol, XLogP of 42.85, 19 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;decakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid);2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 159389050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).