4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum

C84H68Ir2N14O6OsPt2S-6 — CID 157481200

IUPAC4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum
SMILESCC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[n-]n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1nnc(-c2ccccn2)s1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Ir].[Ir].[Os].[Pt].[Pt].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H16N2O2.2C15H10N.C9H8N3.C8H7N4.C8H7N3S.C5H8O2.2CHO.2Ir.Os.2Pt/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-6-10-11-8(12-6)7-4-2-3-5-9-7;1-4(6)3-5(2)7;2*1-2;;;;;/h1-14,25-26H;2*1-7,9-11H;2-6H,1H3;2*2-5H,1H3;3,6H,1-2H3;2*1H;;;;;/q;4*-1;;;2*-1;;;;;
InChIKeyXHGDIRNJZQOHGG-UHFFFAOYSA-N
MW2366.45 g/mol
LogP16.89
Rot. Bonds9

About 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum

4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum (PubChem CID 157481200) has the molecular formula C84H68Ir2N14O6OsPt2S-6 and a molecular weight of 2366.45 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum.

Molecular Properties

Compound Name4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum
PubChem CID157481200
Molecular FormulaC84H68Ir2N14O6OsPt2S-6
Molecular Weight2366.45 g/mol
Exact Mass2368.34
IUPAC Name4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum
SMILESCC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[n-]n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1nnc(-c2ccccn2)s1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Ir].[Ir].[Os].[Pt].[Pt].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H16N2O2.2C15H10N.C9H8N3.C8H7N4.C8H7N3S.C5H8O2.2CHO.2Ir.Os.2Pt/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-6-10-11-8(12-6)7-4-2-3-5-9-7;1-4(6)3-5(2)7;2*1-2;;;;;/h1-14,25-26H;2*1-7,9-11H;2-6H,1H3;2*2-5H,1H3;3,6H,1-2H3;2*1H;;;;;/q;4*-1;;;2*-1;;;;;
InChIKeyXHGDIRNJZQOHGG-UHFFFAOYSA-N
XLogP16.89
TPSA294.78 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002366.45
LogP ≤ 516.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum?
The IUPAC name of 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum (CID 157481200) is 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum.
What is the SMILES notation for 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum?
The canonical SMILES for 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum is CC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[n-]n1.Cc1n[n-]c(-c2ccccn2)n1.Cc1nnc(-c2ccccn2)s1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Ir].[Ir].[Os].[Pt].[Pt].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum?
The InChIKey is XHGDIRNJZQOHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2.2C15H10N.C9H8N3.C8H7N4.C8H7N3S.C5H8O2.2CHO.2Ir.Os.2Pt/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-6-10-11-8(12-6)7-4-2-3-5-9-7;1-4(6)3-5(2)7;2*1-2;;;;;/h1-14,25-26H;2*1-7,9-11H;2-6H,1H3;2*2-5H,1H3;3,6H,1-2H3;2*1H;;;;;/q;4*-1;;;2*-1;;;;;.
What are the key properties of 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum?
4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum has a molecular weight of 2366.45 g/mol, XLogP of 16.89, 9 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;bis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-methyl-5-pyridin-2-yl-1,3,4-thiadiazole;osmium;bis(1-phenylisoquinoline);platinum is sourced from PubChem (CID 157481200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).