dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)

C40H26DyF9N2O6 — CID 139144016

IUPACdysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
SMILESO=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.[Dy+3].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H7F3O2.C10H8N2.Dy/c3*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-6,15H;1-8H;/q;;;;+3/p-3/b3*9-6-;;
InChIKeyWGYLRCXLVJHFPA-SBUQYLMDSA-K
MW964.14 g/mol
LogP7.17
Rot. Bonds7

About dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)

dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate) (PubChem CID 139144016) has the molecular formula C40H26DyF9N2O6 and a molecular weight of 964.14 g/mol. Its IUPAC name is dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate).

Molecular Properties

Compound Namedysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
PubChem CID139144016
Molecular FormulaC40H26DyF9N2O6
Molecular Weight964.14 g/mol
Exact Mass965.09
IUPAC Namedysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
SMILESO=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.[Dy+3].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H7F3O2.C10H8N2.Dy/c3*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-6,15H;1-8H;/q;;;;+3/p-3/b3*9-6-;;
InChIKeyWGYLRCXLVJHFPA-SBUQYLMDSA-K
XLogP7.17
TPSA146.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.14
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

1-(4-Fluoro-phenyl)-4-[2-(2-pyridin-2-yl-ethyl)-1,2,3,4-tetrahydro-beta-carbolin-9-yl]-butan-1-one
CID 44268248
10,10-Bis[[2-(trifluoromethyl)-4-pyridinyl]methyl]anthracen-9-one
CID 155517409
1-(4-Fluorophenyl)-2-[1-(4-fluorophenyl)pyrrolo[1,2-a]pyrazin-2-ium-2-yl]ethanone
CID 145946094
1-[4-(4-Fluorobenzoyl)piperazin-1-yl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 177646467
Piperidinium europium benzoyl trifluoroacetonate
CID 11979537
Bis(palladium(2+));bis(pyridine-2-carbonyl-[[2-(trifluoromethyl)phenyl]methyl]azanide);diacetate
CID 121225899
(2,2'-Dipyridyl-N,N')bis(1,1,1-trifluoro-4-phenylbutane-2,4-dionato-O,O')manganese(II)
CID 139056918
1-(Pyridin-2-yl)-2-[2-(trifluoromethyl)benzyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 139083086
europium(3+);2-pyridin-2-ylpyridine;tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate)
CID 139137236
2-pyridin-2-ylpyridine;samarium(3+);tris((1Z)-2,2,2-trifluoro-1-(3-oxo-1H-inden-2-ylidene)ethanolate)
CID 139137238
bis(2,2'-Bipyridyl)-tris(mu2-1,3-bis(4,4,4-Trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl)-di-europium(iii) dichloromethane solvate
CID 139139443
bis(2,2'-Bipyridyl)-tris(mu2-1,3-bis(4,4,4-Trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl)-di-Samarium(iii) dichloromethane solvate
CID 139139445

Frequently Asked Questions

What is the IUPAC name of dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)?
The IUPAC name of dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate) (CID 139144016) is dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate).
What is the SMILES notation for dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)?
The canonical SMILES for dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate) is O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.O=C(/C=C(\[O-])C(F)(F)F)c1ccccc1.[Dy+3].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)?
The InChIKey is WGYLRCXLVJHFPA-SBUQYLMDSA-K. The full InChI is InChI=1S/3C10H7F3O2.C10H8N2.Dy/c3*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*1-6,15H;1-8H;/q;;;;+3/p-3/b3*9-6-;;.
What are the key properties of dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)?
dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate) has a molecular weight of 964.14 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate) is sourced from PubChem (CID 139144016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).