europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline

C29H17EuF3N2O4 — CID 177066216

IUPACeuropium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline
SMILESO=C(c1c(O)c2ccc(-c3ccccc3)cc2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C17H9F3O4.C12H8N2.Eu/c18-17(19,20)15(22)13-14(21)11-7-6-10(8-12(11)24-16(13)23)9-4-2-1-3-5-9;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8,21H;1-8H;
InChIKeyIOPPDBMFORBWSY-UHFFFAOYSA-N
MW666.42 g/mol
LogP6.69
Rot. Bonds2

About europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline

europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline (PubChem CID 177066216) has the molecular formula C29H17EuF3N2O4 and a molecular weight of 666.42 g/mol. Its IUPAC name is europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline
PubChem CID177066216
Molecular FormulaC29H17EuF3N2O4
Molecular Weight666.42 g/mol
Exact Mass667.04
IUPAC Nameeuropium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline
SMILESO=C(c1c(O)c2ccc(-c3ccccc3)cc2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C17H9F3O4.C12H8N2.Eu/c18-17(19,20)15(22)13-14(21)11-7-6-10(8-12(11)24-16(13)23)9-4-2-1-3-5-9;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8,21H;1-8H;
InChIKeyIOPPDBMFORBWSY-UHFFFAOYSA-N
XLogP6.69
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.42
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049926
Europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,4-trimethyl-6-(4,5,6-trimethyl-2-pyridinyl)pyridine
CID 177066046
Europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline
CID 177066073
Europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline
CID 177066085
Europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
CID 177066178
Europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline
CID 177066218
Europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline
CID 177066256
2-(4,5-Dimethyl-2-pyridinyl)-4,5-dimethylpyridine;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one
CID 177066257
Europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline
CID 177066262
4,7-Dimethyl-1,10-phenanthroline;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one
CID 177066269
Europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
CID 177066369
2,9-Dimethyl-1,10-phenanthroline;europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one
CID 177066384

Frequently Asked Questions

What is the IUPAC name of europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline?
The IUPAC name of europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline (CID 177066216) is europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline.
What is the SMILES notation for europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline?
The canonical SMILES for europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline is O=C(c1c(O)c2ccc(-c3ccccc3)cc2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline?
The InChIKey is IOPPDBMFORBWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3O4.C12H8N2.Eu/c18-17(19,20)15(22)13-14(21)11-7-6-10(8-12(11)24-16(13)23)9-4-2-1-3-5-9;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8,21H;1-8H;.
What are the key properties of europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline?
europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline has a molecular weight of 666.42 g/mol, XLogP of 6.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline is sourced from PubChem (CID 177066216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).