3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+)

C36H29NO5V — CID 139176199

IUPAC3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+)
SMILESCc1cccnc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[O-2].[V+4]
InChIInChI=1S/2C15H12O2.C6H7N.O.V/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-6-3-2-4-7-5-6;;/h2*1-11,16H;2-5H,1H3;;/q;;;-2;+4/p-2/b2*14-11-;;;
InChIKeyAXNFBUXOJCSEKJ-BGFMMZJESA-L
MW606.57 g/mol
LogP5.81
Rot. Bonds6

About 3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+)

3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+) (PubChem CID 139176199) has the molecular formula C36H29NO5V and a molecular weight of 606.57 g/mol. Its IUPAC name is 3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+).

Molecular Properties

Compound Name3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+)
PubChem CID139176199
Molecular FormulaC36H29NO5V
Molecular Weight606.57 g/mol
Exact Mass606.15
IUPAC Name3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+)
SMILESCc1cccnc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[O-2].[V+4]
InChIInChI=1S/2C15H12O2.C6H7N.O.V/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-6-3-2-4-7-5-6;;/h2*1-11,16H;2-5H,1H3;;/q;;;-2;+4/p-2/b2*14-11-;;;
InChIKeyAXNFBUXOJCSEKJ-BGFMMZJESA-L
XLogP5.81
TPSA121.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.57
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 50937319
CID 50937319
europium(3+);tris((E)-3-oxo-1,3-diphenylprop-1-en-1-olate);1,10-phenanthroline
CID 131675766
1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)
CID 139143577
1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione
CID 4267792
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
CID 139178157
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
dichloroniobium;(Z)-3-oxo-1,3-diphenylprop-1-en-1-olate;bis(propan-1-ol)
CID 50937194
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
2-methyl-4-oxo-4-phenylbut-2-enoate;rubidium(1+)
CID 173291657
CID 139155657
CID 139155657

Frequently Asked Questions

What is the IUPAC name of 3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+)?
The IUPAC name of 3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+) (CID 139176199) is 3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+).
What is the SMILES notation for 3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+)?
The canonical SMILES for 3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+) is Cc1cccnc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[O-2].[V+4].
What is the InChIKey of 3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+)?
The InChIKey is AXNFBUXOJCSEKJ-BGFMMZJESA-L. The full InChI is InChI=1S/2C15H12O2.C6H7N.O.V/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-6-3-2-4-7-5-6;;/h2*1-11,16H;2-5H,1H3;;/q;;;-2;+4/p-2/b2*14-11-;;;.
What are the key properties of 3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+)?
3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+) has a molecular weight of 606.57 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyridine;bis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);oxygen(2-);vanadium(4+) is sourced from PubChem (CID 139176199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).