europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline

C29H15EuF3N2O4S — CID 177066073

IUPACeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline
SMILESO=C(c1c(O)c2ccc3c4ccccc4sc3c2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C17H7F3O4S.C12H8N2.Eu/c18-17(19,20)15(22)11-12(21)9-6-5-8-7-3-1-2-4-10(7)25-14(8)13(9)24-16(11)23;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-6,21H;1-8H;
InChIKeyXSPWGOTYOQJNLG-UHFFFAOYSA-N
MW696.47 g/mol
LogP7.39
Rot. Bonds1

About europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline

europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline (PubChem CID 177066073) has the molecular formula C29H15EuF3N2O4S and a molecular weight of 696.47 g/mol. Its IUPAC name is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline
PubChem CID177066073
Molecular FormulaC29H15EuF3N2O4S
Molecular Weight696.47 g/mol
Exact Mass696.99
IUPAC Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline
SMILESO=C(c1c(O)c2ccc3c4ccccc4sc3c2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C17H7F3O4S.C12H8N2.Eu/c18-17(19,20)15(22)11-12(21)9-6-5-8-7-3-1-2-4-10(7)25-14(8)13(9)24-16(11)23;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-6,21H;1-8H;
InChIKeyXSPWGOTYOQJNLG-UHFFFAOYSA-N
XLogP7.39
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.47
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;2-pyridin-2-ylpyridine
CID 177066115
Europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline
CID 177066216
Europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline
CID 177066218
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
5,6-Dimethyl-1,10-phenanthroline;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one
CID 177066449
Europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;1,10-phenanthroline
CID 177066483

Frequently Asked Questions

What is the IUPAC name of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline?
The IUPAC name of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline (CID 177066073) is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline.
What is the SMILES notation for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline?
The canonical SMILES for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline is O=C(c1c(O)c2ccc3c4ccccc4sc3c2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline?
The InChIKey is XSPWGOTYOQJNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7F3O4S.C12H8N2.Eu/c18-17(19,20)15(22)11-12(21)9-6-5-8-7-3-1-2-4-10(7)25-14(8)13(9)24-16(11)23;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-6,21H;1-8H;.
What are the key properties of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline?
europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline has a molecular weight of 696.47 g/mol, XLogP of 7.39, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]chromen-2-one;1,10-phenanthroline is sourced from PubChem (CID 177066073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).