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

C83H62F3Ir3N9O6OsPt-6 — CID 159376167

IUPAC4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESCC(=O)C=C(C)O.Cc1cccc2nc(-c3[c-]cccc3)ccc12.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Ir].[Ir].[Ir].[Os].[Pt].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H16N2O2.C16H12N.2C15H10N.C8H4F3N4.C5H8O2.2CHO.3Ir.Os.Pt/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;1-12-6-5-9-16-14(12)10-11-15(17-16)13-7-3-2-4-8-13;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-4(6)3-5(2)7;2*1-2;;;;;/h1-14,25-26H;2-7,9-11H,1H3;2*1-7,9-11H;1-4H;3,6H,1-2H3;2*1H;;;;;/q;4*-1;;2*-1;;;;;
InChIKeyZIBFSOYRALXBPQ-UHFFFAOYSA-N
MW2300.42 g/mol
LogP18.29
Rot. Bonds8

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

4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (PubChem CID 159376167) has the molecular formula C83H62F3Ir3N9O6OsPt-6 and a molecular weight of 2300.42 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.

Molecular Properties

Compound Name4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
PubChem CID159376167
Molecular FormulaC83H62F3Ir3N9O6OsPt-6
Molecular Weight2300.42 g/mol
Exact Mass2303.30
IUPAC Name4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
SMILESCC(=O)C=C(C)O.Cc1cccc2nc(-c3[c-]cccc3)ccc12.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Ir].[Ir].[Ir].[Os].[Pt].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H16N2O2.C16H12N.2C15H10N.C8H4F3N4.C5H8O2.2CHO.3Ir.Os.Pt/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;1-12-6-5-9-16-14(12)10-11-15(17-16)13-7-3-2-4-8-13;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-4(6)3-5(2)7;2*1-2;;;;;/h1-14,25-26H;2-7,9-11H,1H3;2*1-7,9-11H;1-4H;3,6H,1-2H3;2*1H;;;;;/q;4*-1;;2*-1;;;;;
InChIKeyZIBFSOYRALXBPQ-UHFFFAOYSA-N
XLogP18.29
TPSA229.12 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002300.42
LogP ≤ 518.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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'}

Analyze 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine with MolForge

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Related Compounds

Tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-3,5-dimethylpyrazine);tetrakis(iridium);2-(methyliminomethyl)phenol;2-phenylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157371103
CID 157462522
CID 157462522
CID 157617296
CID 157617296
CID 158157518
CID 158157518
CID 158239006
CID 158239006
CID 158431192
CID 158431192
CID 158636196
CID 158636196
CID 159096807
CID 159096807
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;7,7-dimethyl-1,11-dihydrobenzo[a]phenalene-1,11-diide;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;bis(4-hydroxypent-3-en-2-one);tris(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 159471047
CID 159570252
CID 159570252
2-[4-tert-butyl-6-[4-tert-butyl-6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]propan-2-yl]pyridine;2-[6-[3-[2-(dimethylamino)phenyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[6-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]-2-pyridinyl]phenol;platinum;tris(platinum(2+))
CID 159624539
CID 159810756
CID 159810756

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;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The IUPAC name of 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine (CID 159376167) is 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine.
What is the SMILES notation for 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The canonical SMILES for 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is CC(=O)C=C(C)O.Cc1cccc2nc(-c3[c-]cccc3)ccc12.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Ir].[Ir].[Ir].[Os].[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;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
The InChIKey is ZIBFSOYRALXBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2.C16H12N.2C15H10N.C8H4F3N4.C5H8O2.2CHO.3Ir.Os.Pt/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;1-12-6-5-9-16-14(12)10-11-15(17-16)13-7-3-2-4-8-13;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-4(6)3-5(2)7;2*1-2;;;;;/h1-14,25-26H;2-7,9-11H,1H3;2*1-7,9-11H;1-4H;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;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine?
4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine has a molecular weight of 2300.42 g/mol, XLogP of 18.29, 8 rotatable bonds, 3 hydrogen bond donors, and 14 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;tris(iridium);methanone;5-methyl-2-phenylquinoline;osmium;bis(1-phenylisoquinoline);platinum;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine is sourced from PubChem (CID 159376167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).