(Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum

C25H20F6NO2Pt- — CID 58401804

IUPAC(Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum
SMILESCC(=O)/C=C(/C)O.Cc1cc(C(F)(F)F)c(-c2cccnc2-c2[c-]cccc2)c(C(F)(F)F)c1.[Pt]
InChIInChI=1S/C20H12F6N.C5H8O2.Pt/c1-12-10-15(19(21,22)23)17(16(11-12)20(24,25)26)14-8-5-9-27-18(14)13-6-3-2-4-7-13;1-4(6)3-5(2)7;/h2-6,8-11H,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyVJGDFUJCPXCAMS-LWFKIUJUSA-N
MW675.51 g/mol
LogP7.60
Rot. Bonds3

About (Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum

(Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum (PubChem CID 58401804) has the molecular formula C25H20F6NO2Pt- and a molecular weight of 675.51 g/mol. Its IUPAC name is (Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum.

Molecular Properties

Compound Name(Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum
PubChem CID58401804
Molecular FormulaC25H20F6NO2Pt-
Molecular Weight675.51 g/mol
Exact Mass675.11
IUPAC Name(Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum
SMILESCC(=O)/C=C(/C)O.Cc1cc(C(F)(F)F)c(-c2cccnc2-c2[c-]cccc2)c(C(F)(F)F)c1.[Pt]
InChIInChI=1S/C20H12F6N.C5H8O2.Pt/c1-12-10-15(19(21,22)23)17(16(11-12)20(24,25)26)14-8-5-9-27-18(14)13-6-3-2-4-7-13;1-4(6)3-5(2)7;/h2-6,8-11H,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;
InChIKeyVJGDFUJCPXCAMS-LWFKIUJUSA-N
XLogP7.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.51
LogP ≤ 57.60
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

(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-[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
2-(2,4-dimethoxybenzene-6-id-1-yl)-4-[2,4,6-tris(trifluoromethyl)phenyl]pyridine;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 57872667
(Z)-4-hydroxypent-3-en-2-one;2-phenyl-3-[2,4,6-tris(trifluoromethyl)phenyl]pyridine;platinum
CID 57872702
2-[3,5-bis(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 57872719
(Z)-4-hydroxypent-3-en-2-one;platinum;2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
CID 57872745
(Z)-4-hydroxypent-3-en-2-one;4-methoxy-2-[2-methoxy-4-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;platinum
CID 57872758
(Z)-4-hydroxypent-3-en-2-one;3-phenyl-2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum
CID 57872773

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum?
The IUPAC name of (Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum (CID 58401804) is (Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum.
What is the SMILES notation for (Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum?
The canonical SMILES for (Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum is CC(=O)/C=C(/C)O.Cc1cc(C(F)(F)F)c(-c2cccnc2-c2[c-]cccc2)c(C(F)(F)F)c1.[Pt].
What is the InChIKey of (Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum?
The InChIKey is VJGDFUJCPXCAMS-LWFKIUJUSA-N. The full InChI is InChI=1S/C20H12F6N.C5H8O2.Pt/c1-12-10-15(19(21,22)23)17(16(11-12)20(24,25)26)14-8-5-9-27-18(14)13-6-3-2-4-7-13;1-4(6)3-5(2)7;/h2-6,8-11H,1H3;3,6H,1-2H3;/q-1;;/b;4-3-;.
What are the key properties of (Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum?
(Z)-4-hydroxypent-3-en-2-one;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum has a molecular weight of 675.51 g/mol, XLogP of 7.60, 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;3-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-2-phenylpyridine;platinum is sourced from PubChem (CID 58401804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).