europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline

C27H15EuF3N2O4 — CID 177066483

IUPACeuropium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline
SMILESO=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C15H7F3O4.C12H8N2.Eu/c16-15(17,18)13(20)11-12(19)10-8-4-2-1-3-7(8)5-6-9(10)22-14(11)21;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-6,19H;1-8H;
InChIKeyNAXCPWZKAOULTG-UHFFFAOYSA-N
MW640.39 g/mol
LogP6.18
Rot. Bonds1

About europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline

europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline (PubChem CID 177066483) has the molecular formula C27H15EuF3N2O4 and a molecular weight of 640.39 g/mol. Its IUPAC name is europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline
PubChem CID177066483
Molecular FormulaC27H15EuF3N2O4
Molecular Weight640.39 g/mol
Exact Mass641.02
IUPAC Nameeuropium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline
SMILESO=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C15H7F3O4.C12H8N2.Eu/c16-15(17,18)13(20)11-12(19)10-8-4-2-1-3-7(8)5-6-9(10)22-14(11)21;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-6,19H;1-8H;
InChIKeyNAXCPWZKAOULTG-UHFFFAOYSA-N
XLogP6.18
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.39
LogP ≤ 56.18
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

Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606762
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606785
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
2-(4-Dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049925
[4-[4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]naphthalen-1-yl] 2,2,2-trifluoroacetate;[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;iridium
CID 172181979
[(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-ylidene]oxidanium;[4-[4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]naphthalen-1-yl] 2,2,2-trifluoroacetate;iridium
CID 172182096
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-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline
CID 177066216

Frequently Asked Questions

What is the IUPAC name of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline?
The IUPAC name of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline (CID 177066483) is europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline.
What is the SMILES notation for europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline?
The canonical SMILES for europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline is O=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline?
The InChIKey is NAXCPWZKAOULTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3O4.C12H8N2.Eu/c16-15(17,18)13(20)11-12(19)10-8-4-2-1-3-7(8)5-6-9(10)22-14(11)21;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-6,19H;1-8H;.
What are the key properties of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline?
europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline has a molecular weight of 640.39 g/mol, XLogP of 6.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline is sourced from PubChem (CID 177066483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).