europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone

C28H19EuF3N2O2 — CID 20606778

IUPACeuropium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
SMILESO=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C16H11F3O2.C12H8N2.Eu/c17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-4,7-8,20H,5-6H2;1-8H;
InChIKeyZAYSCAFVMQRLLJ-UHFFFAOYSA-N
MW624.43 g/mol
LogP6.97
Rot. Bonds1

About europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone

europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone (PubChem CID 20606778) has the molecular formula C28H19EuF3N2O2 and a molecular weight of 624.43 g/mol. Its IUPAC name is europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone.

Molecular Properties

Compound Nameeuropium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
PubChem CID20606778
Molecular FormulaC28H19EuF3N2O2
Molecular Weight624.43 g/mol
Exact Mass625.06
IUPAC Nameeuropium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
SMILESO=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C16H11F3O2.C12H8N2.Eu/c17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-4,7-8,20H,5-6H2;1-8H;
InChIKeyZAYSCAFVMQRLLJ-UHFFFAOYSA-N
XLogP6.97
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.43
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,4'-(1,10-Phenanthroline-3,8-diyl)dibenzoic acid
CID 91392357
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline
CID 20606756
europium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline
CID 20606758
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606762
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 20606763
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606785
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
CID 20606786
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 20606787
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;4,7-diphenyl-1,10-phenanthroline;europium
CID 20606788
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606814
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606815
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone
CID 20798406

Frequently Asked Questions

What is the IUPAC name of europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone?
The IUPAC name of europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone (CID 20606778) is europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone.
What is the SMILES notation for europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone?
The canonical SMILES for europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone is O=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone?
The InChIKey is ZAYSCAFVMQRLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2.C12H8N2.Eu/c17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-4,7-8,20H,5-6H2;1-8H;.
What are the key properties of europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone?
europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone has a molecular weight of 624.43 g/mol, XLogP of 6.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone is sourced from PubChem (CID 20606778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).