4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone

C34H25EuF3N2O2 — CID 20606814

IUPAC4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C10H9F3O2.Eu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-5-3-6(2)8(14)7(4-5)9(15)10(11,12)13;/h1-16H;3-4,14H,1-2H3;
InChIKeyLFOMAOFVFNGOHH-UHFFFAOYSA-N
MW702.54 g/mol
LogP8.87
Rot. Bonds3

About 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone

4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone (PubChem CID 20606814) has the molecular formula C34H25EuF3N2O2 and a molecular weight of 702.54 g/mol. Its IUPAC name is 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
PubChem CID20606814
Molecular FormulaC34H25EuF3N2O2
Molecular Weight702.54 g/mol
Exact Mass703.11
IUPAC Name4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C10H9F3O2.Eu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-5-3-6(2)8(14)7(4-5)9(15)10(11,12)13;/h1-16H;3-4,14H,1-2H3;
InChIKeyLFOMAOFVFNGOHH-UHFFFAOYSA-N
XLogP8.87
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.54
LogP ≤ 58.87
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

(E)-1-(2-hydroxyphenyl)-3-phenyl-prop-2-en-1-one; 1,10-phenanthroline; ruthenium(2+); hexafluorophosphate
CID 6481871
dysprosium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)
CID 139205035
[3-[(4-Hydroxy-3,5-dimethylphenyl)methyl]indol-1-yl]-quinolin-4-ylmethanone
CID 172441161
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline
CID 20606756
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
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
CID 20606778
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
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
CID 20606815

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone?
The IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone (CID 20606814) is 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone?
The canonical SMILES for 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone is Cc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone?
The InChIKey is LFOMAOFVFNGOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.C10H9F3O2.Eu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-5-3-6(2)8(14)7(4-5)9(15)10(11,12)13;/h1-16H;3-4,14H,1-2H3;.
What are the key properties of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone?
4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone has a molecular weight of 702.54 g/mol, XLogP of 8.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 20606814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).