2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine

C129H116F3Ir3N13O6OsP2PtRuS2-2 — CID 159132531

IUPAC2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=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(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Ir].[Os+].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2c(nc1-c1ccccc1)CCCC2.[c-]1ccccc1-c1nccnc1-c1ccccc1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H17N2.C16H11N2.C13H8NS.2C13H13P.C11H8N.C10H8N2.C9H6F3N4.C9H6NS.3C5H8O2.3Ir.Os.Pt.Ru/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-3-7-13(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;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;3*1-4(6)3-5(2)7;;;;;;/h1-6,9-11H,7-8,13-14H2;1-9,11-12H;1-8H;2*2-11H,1H3;1-6,8-9H;1-8H;2-4H,1H3;1-4,6-7H;3*3,6H,1-2H3;;;;;;/q3*-1;;;-1;;2*-1;;;;;;;+1;;+1/p+2
InChIKeyQSAKJMPYSDYVFL-UHFFFAOYSA-P
MW3190.54 g/mol
LogP29.05
Rot. Bonds16

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;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);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 159132531) has the molecular formula C129H116F3Ir3N13O6OsP2PtRuS2-2 and a molecular weight of 3190.54 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

Compound Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
PubChem CID159132531
Molecular FormulaC129H116F3Ir3N13O6OsP2PtRuS2-2
Molecular Weight3190.54 g/mol
Exact Mass3193.52
IUPAC Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=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(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Ir].[Os+].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2c(nc1-c1ccccc1)CCCC2.[c-]1ccccc1-c1nccnc1-c1ccccc1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H17N2.C16H11N2.C13H8NS.2C13H13P.C11H8N.C10H8N2.C9H6F3N4.C9H6NS.3C5H8O2.3Ir.Os.Pt.Ru/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-3-7-13(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;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;3*1-4(6)3-5(2)7;;;;;;/h1-6,9-11H,7-8,13-14H2;1-9,11-12H;1-8H;2*2-11H,1H3;1-6,8-9H;1-8H;2-4H,1H3;1-4,6-7H;3*3,6H,1-2H3;;;;;;/q3*-1;;;-1;;2*-1;;;;;;;+1;;+1/p+2
InChIKeyQSAKJMPYSDYVFL-UHFFFAOYSA-P
XLogP29.05
TPSA280.68 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003190.54
LogP ≤ 529.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

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'}

Analyze 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine with MolForge

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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);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;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);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine (CID 159132531) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;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);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;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);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;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.CC(=O)C=C(C)O.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Ir].[Os+].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2c(nc1-c1ccccc1)CCCC2.[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);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?
The InChIKey is QSAKJMPYSDYVFL-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H17N2.C16H11N2.C13H8NS.2C13H13P.C11H8N.C10H8N2.C9H6F3N4.C9H6NS.3C5H8O2.3Ir.Os.Pt.Ru/c1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-3-7-13(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;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;3*1-4(6)3-5(2)7;;;;;;/h1-6,9-11H,7-8,13-14H2;1-9,11-12H;1-8H;2*2-11H,1H3;1-6,8-9H;1-8H;2-4H,1H3;1-4,6-7H;3*3,6H,1-2H3;;;;;;/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);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;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);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 3190.54 g/mol, XLogP of 29.05, 16 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);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);2-phenyl-3-phenylpyrazine;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 159132531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).