(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum

C25H23F3NO2Pt- — CID 58401890

IUPAC(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum
SMILESCC(=O)/C=C(/C)O.Cc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C(F)(F)F.[Pt]
InChIInChI=1S/C20H15F3N.C5H8O2.Pt/c1-13-6-5-7-17(20(21,22)23)19(13)16-10-9-15(12-14(16)2)18-8-3-4-11-24-18;1-4(6)3-5(2)7;/h3-8,10-12H,1-2H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyROJGLQHDHUZMIB-LWFKIUJUSA-N
MW621.54 g/mol
LogP6.89
Rot. Bonds3

About (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum

(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum (PubChem CID 58401890) has the molecular formula C25H23F3NO2Pt- and a molecular weight of 621.54 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum
PubChem CID58401890
Molecular FormulaC25H23F3NO2Pt-
Molecular Weight621.54 g/mol
Exact Mass621.13
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum
SMILESCC(=O)/C=C(/C)O.Cc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C(F)(F)F.[Pt]
InChIInChI=1S/C20H15F3N.C5H8O2.Pt/c1-13-6-5-7-17(20(21,22)23)19(13)16-10-9-15(12-14(16)2)18-8-3-4-11-24-18;1-4(6)3-5(2)7;/h3-8,10-12H,1-2H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyROJGLQHDHUZMIB-LWFKIUJUSA-N
XLogP6.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.54
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(E)-1,1,1-trifluoro-4-(2-methylindolizin-3-yl)but-3-en-2-one
CID 2322145
Chloroiridium(2+);2-methanidyl-1,3-dimethylbenzene;4-methyl-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 20870833
Chloroiridium(2+);2-methanidyl-1,3-dimethylbenzene;5-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 20870838
Chloroiridium(2+);2-methanidyl-1,3-dimethylbenzene;2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 20870840
Chloroiridium(2+);2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-methanidyl-1,3-dimethylbenzene
CID 20870841
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-3-(trifluoromethyl)pyridine
CID 23526356
(Z)-4-hydroxypent-3-en-2-one;iridium;2-phenyl-5-(trifluoromethyl)pyridine
CID 23526357
2,6-Dimethyl-3-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-3-yl]pyran-4-one
CID 57479279
2-[2,4-difluoro-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 57528115
(E)-4-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]but-3-en-2-one
CID 57833682
(Z)-4-hydroxypent-3-en-2-one;platinum;2-[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine
CID 57872557
2-(2,4-dimethoxybenzene-6-id-1-yl)-4-[2,4,6-tris(trifluoromethyl)phenyl]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 57872618

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum (CID 58401890) is (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum is CC(=O)/C=C(/C)O.Cc1cc(-c2ccccn2)[c-]cc1-c1c(C)cccc1C(F)(F)F.[Pt].
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum?
The InChIKey is ROJGLQHDHUZMIB-LWFKIUJUSA-N. The full InChI is InChI=1S/C20H15F3N.C5H8O2.Pt/c1-13-6-5-7-17(20(21,22)23)19(13)16-10-9-15(12-14(16)2)18-8-3-4-11-24-18;1-4(6)3-5(2)7;/h3-8,10-12H,1-2H3;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum?
(Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum has a molecular weight of 621.54 g/mol, XLogP of 6.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxypent-3-en-2-one;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum is sourced from PubChem (CID 58401890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).