2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine

C125H122Ir3N12O6OsP2PtRuS3-2 — CID 159220766

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 159220766) has the molecular formula C125H122Ir3N12O6OsP2PtRuS3-2 and a molecular weight of 3109.61 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;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;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
• PubChem CID: 159220766
• Molecular Formula: C125H122Ir3N12O6OsP2PtRuS3-2
• Molecular Weight: 3109.61 g/mol
• Exact Mass: 3112.55
• IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
• SMILES: C.C.C.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C)n[n-]2)c1.[Ir].[Ir].[Ir].[Os+].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nccnc1-c1ccccc1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C16H11N2.2C13H8NS.2C13H13P.C11H8N.C10H8N2.C9H9N4.C9H6NS.3C5H8O2.3CH4.3Ir.Os.Pt.Ru/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14;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;1-6-3-4-10-8(5-6)9-11-7(2)12-13-9;1-2-6-10-8(4-1)9-5-3-7-11-9;3*1-4(6)3-5(2)7;;;;;;;;;/h1-9,11-12H;1-8H;1-6,8-9H;2*2-11H,1H3;1-6,8-9H;1-8H;3-5H,1-2H3;1-4,6-7H;3*3,6H,1-2H3;3*1H4;;;;;;/q3*-1;;;-1;;2*-1;;;;;;;;;;+1;;+1/p+2
• InChIKey: KJUYTQLJFUTELO-UHFFFAOYSA-P
• XLogP: 29.52
• TPSA: 267.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3109.61
LogP ≤ 5	29.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

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;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;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;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine (CID 159220766) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;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;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;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;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine is C.C.C.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C)n[n-]2)c1.[Ir].[Ir].[Ir].[Os+].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nccnc1-c1ccccc1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?

The InChIKey is KJUYTQLJFUTELO-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H11N2.2C13H8NS.2C13H13P.C11H8N.C10H8N2.C9H9N4.C9H6NS.3C5H8O2.3CH4.3Ir.Os.Pt.Ru/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14;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;1-6-3-4-10-8(5-6)9-11-7(2)12-13-9;1-2-6-10-8(4-1)9-5-3-7-11-9;3*1-4(6)3-5(2)7;;;;;;;;;/h1-9,11-12H;1-8H;1-6,8-9H;2*2-11H,1H3;1-6,8-9H;1-8H;3-5H,1-2H3;1-4,6-7H;3*3,6H,1-2H3;3*1H4;;;;;;/q3*-1;;;-1;;2*-1;;;;;;;;;;+1;;+1/p+2.

What are the key properties of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 3109.61 g/mol, XLogP of 29.52, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);methane;bis(methyl(diphenyl)phosphanium);4-methyl-2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenyl-3-phenylpyrazine;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 159220766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).