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

C115H99F3Ir3N12O4OsPPtS-3 — CID 159583676

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

bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 159583676) has the molecular formula C115H99F3Ir3N12O4OsPPtS-3 and a molecular weight of 2795.13 g/mol. Its IUPAC name is bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

• Compound Name: bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine
• PubChem CID: 159583676
• Molecular Formula: C115H99F3Ir3N12O4OsPPtS-3
• Molecular Weight: 2795.13 g/mol
• Exact Mass: 2797.55
• IUPAC Name: bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Ir].[Os+2].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2c(nc1-c1ccccc1)CCCC2.[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc([CH-]c2ccccc2)cc1
• InChI: InChI=1S/C20H17N2.C20H13N2.C13H13P.C13H11.C11H8N.C10H8N2.C9H6F3N4.C9H6NS.2C5H8O2.3Ir.Os.Pt/c2*1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;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;;;;;/h1-6,9-11H,7-8,13-14H2;1-11,13-14H;2-11H,1H3;1-11H;1-6,8-9H;1-8H;2-4H,1H3;1-4,6-7H;2*3,6H,1-2H3;;;;;/q2*-1;;2*-1;;2*-1;;;;;;+2;/p+1
• InChIKey: IYXYCDWCQHSLNT-UHFFFAOYSA-O
• XLogP: 26.21
• TPSA: 230.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2795.13
LogP ≤ 5	26.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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

The IUPAC name of bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine (CID 159583676) is bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine.

What is the SMILES notation for bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine?

The canonical SMILES for bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Ir].[Os+2].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2c(nc1-c1ccccc1)CCCC2.[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc([CH-]c2ccccc2)cc1.

What is the InChIKey of bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine?

The InChIKey is IYXYCDWCQHSLNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H17N2.C20H13N2.C13H13P.C13H11.C11H8N.C10H8N2.C9H6F3N4.C9H6NS.2C5H8O2.3Ir.Os.Pt/c2*1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;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;;;;;/h1-6,9-11H,7-8,13-14H2;1-11,13-14H;2-11H,1H3;1-11H;1-6,8-9H;1-8H;2-4H,1H3;1-4,6-7H;2*3,6H,1-2H3;;;;;/q2*-1;;2*-1;;2*-1;;;;;;+2;/p+1.

What are the key properties of bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine?

bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 2795.13 g/mol, XLogP of 26.21, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-hydroxypent-3-en-2-one);tris(iridium);methyl(diphenyl)phosphanium;4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(2+);phenylmethylbenzene;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 159583676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).