dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine

C40H38DyF21N2O6 — CID 139201595

IUPACdysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine
SMILESCC(C)(C)C(=O)/C=C(\[O-])C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)/C=C(\[O-])C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)/C=C(\[O-])C(F)(F)C(F)(F)C(F)(F)F.[Dy+3].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H11F7O2.C10H8N2.Dy/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*4,19H,1-3H3;1-8H;/q;;;;+3/p-3/b3*6-4-;;
InChIKeyFAWJAKYSHMNFEX-ADTZRLOYSA-K
MW1204.21 g/mol
LogP10.18
Rot. Bonds10

About dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine

dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine (PubChem CID 139201595) has the molecular formula C40H38DyF21N2O6 and a molecular weight of 1204.21 g/mol. Its IUPAC name is dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namedysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine
PubChem CID139201595
Molecular FormulaC40H38DyF21N2O6
Molecular Weight1204.21 g/mol
Exact Mass1205.17
IUPAC Namedysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine
SMILESCC(C)(C)C(=O)/C=C(\[O-])C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)/C=C(\[O-])C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)/C=C(\[O-])C(F)(F)C(F)(F)C(F)(F)F.[Dy+3].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H11F7O2.C10H8N2.Dy/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*4,19H,1-3H3;1-8H;/q;;;;+3/p-3/b3*6-4-;;
InChIKeyFAWJAKYSHMNFEX-ADTZRLOYSA-K
XLogP10.18
TPSA146.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001204.21
LogP ≤ 510.18
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(3-(4-tert-butyl-2-pyridinyl)-2,6-difluoro-4H-pyridin-4-ide);iridium(3+);pentane-2,4-dione
CID 172907491
(2,2'-Dipyridyl-N,N')bis(1,1,1-trifluoro-4-phenylbutane-2,4-dionato-O,O')manganese(II)
CID 139056918
Copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate
CID 139126663
dysprosium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 139144016
neodymium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-olate)
CID 139172086
praseodymium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-olate)
CID 139172087
cerium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-olate)
CID 139172088
hexakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(lanthanum(3+));bis(2-pyridin-2-ylpyridine)
CID 139173571
erbium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 139200635
tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(bipyridine)erbium(III)
CID 168354687
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
6-[4-fluoro-3-(trifluoromethyl)benzene-6-id-1-yl]-5,5-dimethyl-3-phenyl-4-pyridin-2-yl-3,4-dihydro-2H-pyridine;[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 58983181

Frequently Asked Questions

What is the IUPAC name of dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine?
The IUPAC name of dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine (CID 139201595) is dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine.
What is the SMILES notation for dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine?
The canonical SMILES for dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine is CC(C)(C)C(=O)/C=C(\[O-])C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)/C=C(\[O-])C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)/C=C(\[O-])C(F)(F)C(F)(F)C(F)(F)F.[Dy+3].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine?
The InChIKey is FAWJAKYSHMNFEX-ADTZRLOYSA-K. The full InChI is InChI=1S/3C10H11F7O2.C10H8N2.Dy/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3*4,19H,1-3H3;1-8H;/q;;;;+3/p-3/b3*6-4-;;.
What are the key properties of dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine?
dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine has a molecular weight of 1204.21 g/mol, XLogP of 10.18, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);2-pyridin-2-ylpyridine is sourced from PubChem (CID 139201595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).