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

C40H27EuF3N2O2 — CID 20606786

IUPAC4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
SMILESO=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C16H11F3O2.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;17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;/h1-16H;1-4,7-8,20H,5-6H2;
InChIKeyPYAKSFCEEKOPNJ-UHFFFAOYSA-N
MW776.63 g/mol
LogP10.30
Rot. Bonds3

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

4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone (PubChem CID 20606786) has the molecular formula C40H27EuF3N2O2 and a molecular weight of 776.63 g/mol. Its IUPAC name is 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone.

Molecular Properties

Compound Name4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
PubChem CID20606786
Molecular FormulaC40H27EuF3N2O2
Molecular Weight776.63 g/mol
Exact Mass777.12
IUPAC Name4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
SMILESO=C(C1=C(O)c2cc3ccccc3cc2CC1)C(F)(F)F.[Eu].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C16H11F3O2.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;17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;/h1-16H;1-4,7-8,20H,5-6H2;
InChIKeyPYAKSFCEEKOPNJ-UHFFFAOYSA-N
XLogP10.30
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.63
LogP ≤ 510.30
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

2-[1-(Naphthalen-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]indol-4-yl]benzoic acid
CID 164628235
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-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
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone
CID 20798408

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone?
The IUPAC name of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone (CID 20606786) is 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone.
What is the SMILES notation for 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone?
The canonical SMILES for 4,7-diphenyl-1,10-phenanthroline;europium;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].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone?
The InChIKey is PYAKSFCEEKOPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.C16H11F3O2.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;17-16(18,19)15(21)12-6-5-11-7-9-3-1-2-4-10(9)8-13(11)14(12)20;/h1-16H;1-4,7-8,20H,5-6H2;.
What are the key properties of 4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone?
4,7-diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone has a molecular weight of 776.63 g/mol, XLogP of 10.30, 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-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone is sourced from PubChem (CID 20606786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).