2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine

C137H132F3Ir2N14O4OsP2Pt2RuS3- — CID 158212033

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 158212033) has the molecular formula C137H132F3Ir2N14O4OsP2Pt2RuS3- and a molecular weight of 3319.69 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

• Compound Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
• PubChem CID: 158212033
• Molecular Formula: C137H132F3Ir2N14O4OsP2Pt2RuS3-
• Molecular Weight: 3319.69 g/mol
• Exact Mass: 3321.64
• IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Os+].[Pt+2].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C36H44N4.2C13H8NS.2C13H13P.C11H8N.C10H8N2.C9H6F3N4.C9H6NS.2C5H8O2.2Ir.Os.2Pt.Ru/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-5-2-3-13-6(4-5)7-14-8(16-15-7)9(10,11)12;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-4(6)3-5(2)7;;;;;;/h17-20H,9-16H2,1-8H3;1-8H;1-6,8-9H;2*2-11H,1H3;1-6,8-9H;1-8H;2-4H,1H3;1-4,6-7H;2*3,6H,1-2H3;;;;;;/q-2;2*-1;;;-1;;2*-1;;;;;+1;;+2;+1/p+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-
• InChIKey: KUGPFROPMZJSCF-PCQXPGEKSA-P
• XLogP: 32.96
• TPSA: 258.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3319.69
LogP ≤ 5	32.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?

The IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine (CID 158212033) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine.

What is the SMILES notation for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?

The canonical SMILES for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Os+].[Pt+2].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?

The InChIKey is KUGPFROPMZJSCF-PCQXPGEKSA-P. The full InChI is InChI=1S/C36H44N4.2C13H8NS.2C13H13P.C11H8N.C10H8N2.C9H6F3N4.C9H6NS.2C5H8O2.2Ir.Os.2Pt.Ru/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-5-2-3-13-6(4-5)7-14-8(16-15-7)9(10,11)12;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-4(6)3-5(2)7;;;;;;/h17-20H,9-16H2,1-8H3;1-8H;1-6,8-9H;2*2-11H,1H3;1-6,8-9H;1-8H;2-4H,1H3;1-4,6-7H;2*3,6H,1-2H3;;;;;;/q-2;2*-1;;;-1;;2*-1;;;;;+1;;+2;+1/p+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;;;;.

What are the key properties of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 3319.69 g/mol, XLogP of 32.96, 20 rotatable bonds, 2 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;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 158212033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).