2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine

C145H131Ir4N14O6Pt2RuS3-4 — CID 160803834

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;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;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 160803834) has the molecular formula C145H131Ir4N14O6Pt2RuS3-4 and a molecular weight of 3522.03 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;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;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
• PubChem CID: 160803834
• Molecular Formula: C145H131Ir4N14O6Pt2RuS3-4
• Molecular Weight: 3522.03 g/mol
• Exact Mass: 3523.64
• IUPAC Name: 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;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.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.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2c2ccccc12.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3nc2-c2ccccn2)cc1
• InChI: InChI=1S/C36H44N4.C19H13N3.C19H12N.2C13H8NS.C11H8N.C10H8N2.C9H6NS.3C5H8O2.4Ir.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;1-2-8-14(9-3-1)18-19(17-12-6-7-13-20-17)22-16-11-5-4-10-15(16)21-18;1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19;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;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;1-2-6-10-8(4-1)9-5-3-7-11-9;3*1-4(6)3-5(2)7;;;;;;;/h17-20H,9-16H2,1-8H3;1-13H;1-8,10-13H;1-8H;1-6,8-9H;1-6,8-9H;1-8H;1-4,6-7H;3*3,6H,1-2H3;;;;;;;/q-2;;4*-1;;-1;;;;;;;;;+2;+1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-
• InChIKey: VBBNDTYWWVSPHE-JMCWGIHZSA-N
• XLogP: 36.42
• TPSA: 294.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3522.03
LogP ≤ 5	36.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

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': 'Polycyclic_aromatic_hydrocarbon_3', '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);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;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;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine (CID 160803834) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;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;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;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;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;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.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.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2c2ccccc12.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2nc3ccccc3nc2-c2ccccn2)cc1.

What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?

The InChIKey is VBBNDTYWWVSPHE-JMCWGIHZSA-N. The full InChI is InChI=1S/C36H44N4.C19H13N3.C19H12N.2C13H8NS.C11H8N.C10H8N2.C9H6NS.3C5H8O2.4Ir.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;1-2-8-14(9-3-1)18-19(17-12-6-7-13-20-17)22-16-11-5-4-10-15(16)21-18;1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19;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;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;1-2-6-10-8(4-1)9-5-3-7-11-9;3*1-4(6)3-5(2)7;;;;;;;/h17-20H,9-16H2,1-8H3;1-13H;1-8,10-13H;1-8H;1-6,8-9H;1-6,8-9H;1-8H;1-4,6-7H;3*3,6H,1-2H3;;;;;;;/q-2;;4*-1;;-1;;;;;;;;;+2;+1/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;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;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;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 3522.03 g/mol, XLogP of 36.42, 19 rotatable bonds, 3 hydrogen bond donors, and 21 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);tetrakis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-1,3-benzothiazole;6-phenylphenanthridine;2-phenylpyridine;2-phenyl-3-pyridin-2-ylquinoxaline;platinum;platinum(2+);2-pyridin-2-ylpyridine;ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 160803834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).