dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);1,10-phenanthroline

C42H38DyF21N2O6 — CID 139201596

IUPACdysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);1,10-phenanthroline
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].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.3C10H11F7O2.Dy/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h1-8H;3*4,19H,1-3H3;/q;;;;+3/p-3/b;3*6-4-;
InChIKeyKHIFUGHSTSVZNC-XRPAYOKVSA-K
MW1228.23 g/mol
LogP10.82
Rot. Bonds9

About dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);1,10-phenanthroline

dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);1,10-phenanthroline (PubChem CID 139201596) has the molecular formula C42H38DyF21N2O6 and a molecular weight of 1228.23 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);1,10-phenanthroline.

Molecular Properties

Compound Namedysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);1,10-phenanthroline
PubChem CID139201596
Molecular FormulaC42H38DyF21N2O6
Molecular Weight1228.23 g/mol
Exact Mass1229.17
IUPAC Namedysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);1,10-phenanthroline
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].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.3C10H11F7O2.Dy/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h1-8H;3*4,19H,1-3H3;/q;;;;+3/p-3/b;3*6-4-;
InChIKeyKHIFUGHSTSVZNC-XRPAYOKVSA-K
XLogP10.82
TPSA146.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001228.23
LogP ≤ 510.82
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 140913198
CID 140913198
Dibromo-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane;1,10-phenanthroline
CID 5200160
Molybdenum,10-phenanthroline-N(1),N(10))-, (OC-6-22)-
CID 24195312
Carbon monoxide;4,7-dimethyl-1,10-phenanthroline;rhenium
CID 16741203
dysprosium(3+);1,10-phenanthroline;tris((1Z)-2,2,2-trifluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethanolate);dihydrate
CID 139139941
dysprosium(3+);1,10-phenanthroline;tris((1Z)-2,2,2-trifluoro-1-[(1R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]ethanolate)
CID 139139942
bis(1,10-phenanthroline);bis(terbium(3+));pentakis((Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-olate);(Z)-6,6,6-trifluoro-2,2-dimethyl-5-oxohex-3-en-3-olate
CID 139144078
zinc bis((Z)-1,1,1-trifluoro-4-quinolin-8-yliminopent-2-en-2-olate)
CID 139165158
zinc bis((Z)-6,6,6-trifluoro-2,2-dimethyl-5-quinolin-8-yliminohex-3-en-3-olate)
CID 139165159
zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate)
CID 139165161
Bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline)
CID 139167985
disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)
CID 139171199

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);1,10-phenanthroline?
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);1,10-phenanthroline (CID 139201596) is dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);1,10-phenanthroline.
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);1,10-phenanthroline?
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);1,10-phenanthroline 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].c1cnc2c(c1)ccc1cccnc12.
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);1,10-phenanthroline?
The InChIKey is KHIFUGHSTSVZNC-XRPAYOKVSA-K. The full InChI is InChI=1S/C12H8N2.3C10H11F7O2.Dy/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h1-8H;3*4,19H,1-3H3;/q;;;;+3/p-3/b;3*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);1,10-phenanthroline?
dysprosium(3+);tris((Z)-1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-6-oxooct-4-en-4-olate);1,10-phenanthroline has a molecular weight of 1228.23 g/mol, XLogP of 10.82, 9 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);1,10-phenanthroline is sourced from PubChem (CID 139201596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).