4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide

C46H33Ir4N17O10Pt2S-6 — CID 157451443

IUPAC4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide
SMILESCC(=O)C=C(C)O.Cn1cnc(-c2[c-]noc2)n1.[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[c-]1nocc1-c1cocn1.[c-]1nocc1-c1ncco1.[c-]1nocc1-c1nccs1.[c-]1nocc1-n1cc(-c2ccccc2)cn1.[c-]1nocc1-n1ccnn1
InChIInChI=1S/C12H8N3O.C6H5N4O.2C6H3N2O2.C6H3N2OS.C5H3N4O.C5H8O2.4Ir.2Pt/c1-2-4-10(5-3-1)11-6-13-15(8-11)12-7-14-16-9-12;1-10-4-7-6(9-10)5-2-8-11-3-5;1-5(2-10-8-1)6-3-9-4-7-6;1-2-9-6(7-1)5-3-8-10-4-5;1-2-10-6(7-1)5-3-8-9-4-5;1-2-9(8-6-1)5-3-7-10-4-5;1-4(6)3-5(2)7;;;;;;/h1-6,8-9H;3-4H,1H3;2-4H;3*1-2,4H;3,6H,1-2H3;;;;;;/q6*-1;;;;;;;
InChIKeyNUOQCLCGAVYLQO-UHFFFAOYSA-N
MW2174.97 g/mol
LogP7.53
Rot. Bonds8

About 4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide

4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide (PubChem CID 157451443) has the molecular formula C46H33Ir4N17O10Pt2S-6 and a molecular weight of 2174.97 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide.

Molecular Properties

Compound Name4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide
PubChem CID157451443
Molecular FormulaC46H33Ir4N17O10Pt2S-6
Molecular Weight2174.97 g/mol
Exact Mass2177.02
IUPAC Name4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide
SMILESCC(=O)C=C(C)O.Cn1cnc(-c2[c-]noc2)n1.[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[c-]1nocc1-c1cocn1.[c-]1nocc1-c1ncco1.[c-]1nocc1-c1nccs1.[c-]1nocc1-n1cc(-c2ccccc2)cn1.[c-]1nocc1-n1ccnn1
InChIInChI=1S/C12H8N3O.C6H5N4O.2C6H3N2O2.C6H3N2OS.C5H3N4O.C5H8O2.4Ir.2Pt/c1-2-4-10(5-3-1)11-6-13-15(8-11)12-7-14-16-9-12;1-10-4-7-6(9-10)5-2-8-11-3-5;1-5(2-10-8-1)6-3-9-4-7-6;1-2-9-6(7-1)5-3-8-10-4-5;1-2-10-6(7-1)5-3-8-9-4-5;1-2-9(8-6-1)5-3-7-10-4-5;1-4(6)3-5(2)7;;;;;;/h1-6,8-9H;3-4H,1H3;2-4H;3*1-2,4H;3,6H,1-2H3;;;;;;/q6*-1;;;;;;;
InChIKeyNUOQCLCGAVYLQO-UHFFFAOYSA-N
XLogP7.53
TPSA337.67 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002174.97
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

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'}

Analyze 4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide with MolForge

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Launch Full Analysis

Related Compounds

1-(4-methylbenzene-6-id-1-yl)pyrazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(5-phenyl-3H-thiophen-3-id-4-yl)imidazole;2-phenyl-1,3-oxazole;4-phenyl-1-phenylpyrazole;tris(1-phenylpyrazole);2-phenyl-1,3-thiazole;1-phenyl-1,2,4-triazole;pentakis(platinum(2+))
CID 158112461
Tris(3,5-dimethyl-1-phenylpyrazole);tris(iridium(3+));1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole
CID 158462212
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;hexakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenyl-1,3-thiazole
CID 158793363
Tris(3,5-dimethyl-1-phenylpyrazole);1-methyl-2-phenylimidazole;2-phenyl-1,3-oxazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);2-phenyl-1,3-thiazole;tris(rhodium(3+))
CID 158998564
1-(2,4-dimethoxybenzene-6-id-1-yl)-5-methylpyrazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-(1-methylimidazol-4-yl)-5-phenyl-2H-imidazol-2-ide);1-methyl-2-phenylimidazole;bis(1-(1-methylpyrazol-3-yl)-5-phenyl-2H-imidazol-2-ide);4-(2-phenyl-4H-imidazol-4-id-3-yl)-1,3-oxazole;5-phenyl-1-phenylpyrazole;4-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;platinum(2+)
CID 159296268
pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)pyrazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(5-phenyl-3H-thiophen-3-id-4-yl)imidazole;2-phenyl-1,3-oxazole;4-phenyl-1-phenylpyrazole;tris(1-phenylpyrazole);2-phenyl-1,3-thiazole;1-phenyl-1,2,4-triazole
CID 160102553
3,5-Dimethyl-1-phenylpyrazole;tris(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole;bis(platinum(2+))
CID 160254664
tetrakis(iridium);1-(4-methylbenzene-6-id-1-yl)pyrazole;1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-(5-phenyl-3H-thiophen-3-id-4-yl)imidazole;2-phenyl-1,3-oxazole;4-phenyl-1-phenylpyrazole;bis(1-phenylpyrazole);2-phenyl-1,3-thiazole
CID 160558062
2-(3H-furan-3-id-4-yl)-1-methyl-5-phenylimidazole;1-(2H-furan-2-id-3-yl)pyrazole;1-(3H-furan-3-id-2-yl)pyrazole;tris(iridium);1-methyl-2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)imidazole;1-methyl-5-phenyl-4-pyrazol-1-yl-3H-pyrazol-3-ide;1-methyl-4-(4-phenylpyrrol-1-id-2-yl)imidazole;2-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)-1,3-thiazole;2-(1-methyl-3H-pyrrol-3-id-4-yl)-5-phenyl-1,3-oxazole;1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrazole;bis(platinum(2+));5-pyrazol-1-yl-4H-1,3-oxazol-4-ide
CID 160611215
3,5-Dimethyl-1-phenylpyrazole;pentakis(iridium);1-(3-isocyanobenzene-6-id-1-yl)pyrazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;1-(3-phenylbenzene-6-id-1-yl)pyrazole;2-phenyl-1,3-oxazole;4-phenyl-1,3-oxazole;bis(1-phenylpyrazole);4-phenyl-1,3-thiazole
CID 160633215
1,5-dimethyl-3-(1-methyl-5-phenyl-3H-pyrrol-3-id-4-yl)pyrazole;1,5-dimethyl-4-(5-methyl-4-phenyl-2H-thiophen-2-id-3-yl)imidazole;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);4-(5-methyl-3H-furan-3-id-4-yl)-5-phenyl-1,3-thiazole;4-(5-phenyl-3H-thiophen-3-id-4-yl)-1,3-oxazole;4-(5-phenyl-3H-thiophen-3-id-4-yl)-1,3-thiazole
CID 161043960
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;decakis(iridium);1-methyl-2-(3-phenylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;1-methyl-4-phenylimidazole;2-phenyl-1,3-oxazole;1-phenylpyrazole;1-phenyltetrazole;2-phenyl-1,3-thiazole;1-phenyltriazole;2-phenyltriazole
CID 161225380

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide?
The IUPAC name of 4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide (CID 157451443) is 4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide.
What is the SMILES notation for 4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide?
The canonical SMILES for 4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide is CC(=O)C=C(C)O.Cn1cnc(-c2[c-]noc2)n1.[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[c-]1nocc1-c1cocn1.[c-]1nocc1-c1ncco1.[c-]1nocc1-c1nccs1.[c-]1nocc1-n1cc(-c2ccccc2)cn1.[c-]1nocc1-n1ccnn1.
What is the InChIKey of 4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide?
The InChIKey is NUOQCLCGAVYLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N3O.C6H5N4O.2C6H3N2O2.C6H3N2OS.C5H3N4O.C5H8O2.4Ir.2Pt/c1-2-4-10(5-3-1)11-6-13-15(8-11)12-7-14-16-9-12;1-10-4-7-6(9-10)5-2-8-11-3-5;1-5(2-10-8-1)6-3-9-4-7-6;1-2-9-6(7-1)5-3-8-10-4-5;1-2-10-6(7-1)5-3-8-9-4-5;1-2-9(8-6-1)5-3-7-10-4-5;1-4(6)3-5(2)7;;;;;;/h1-6,8-9H;3-4H,1H3;2-4H;3*1-2,4H;3,6H,1-2H3;;;;;;/q6*-1;;;;;;;.
What are the key properties of 4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide?
4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide has a molecular weight of 2174.97 g/mol, XLogP of 7.53, 8 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-3-en-2-one;tetrakis(iridium);4-(1-methyl-1,2,4-triazol-3-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-2-yl)-3H-1,2-oxazol-3-ide;4-(1,3-oxazol-4-yl)-3H-1,2-oxazol-3-ide;4-(4-phenylpyrazol-1-yl)-3H-1,2-oxazol-3-ide;platinum;4-(1,3-thiazol-2-yl)-3H-1,2-oxazol-3-ide;4-(triazol-1-yl)-3H-1,2-oxazol-3-ide is sourced from PubChem (CID 157451443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).