europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline

C31H23EuF3N2O4 — CID 177066256

IUPACeuropium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline
SMILESCc1cc2ccc3cc(C)c(C)nc3c2nc1C.O=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C16H16N2.C15H7F3O4.Eu/c1-9-7-13-5-6-14-8-10(2)12(4)18-16(14)15(13)17-11(9)3;16-15(17,18)13(20)11-12(19)10-8-4-2-1-3-7(8)5-6-9(10)22-14(11)21;/h5-8H,1-4H3;1-6,19H;
InChIKeyDXGYLORJUPNQOD-UHFFFAOYSA-N
MW696.49 g/mol
LogP7.41
Rot. Bonds1

About europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline

europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline (PubChem CID 177066256) has the molecular formula C31H23EuF3N2O4 and a molecular weight of 696.49 g/mol. Its IUPAC name is europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline
PubChem CID177066256
Molecular FormulaC31H23EuF3N2O4
Molecular Weight696.49 g/mol
Exact Mass697.08
IUPAC Nameeuropium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline
SMILESCc1cc2ccc3cc(C)c(C)nc3c2nc1C.O=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C16H16N2.C15H7F3O4.Eu/c1-9-7-13-5-6-14-8-10(2)12(4)18-16(14)15(13)17-11(9)3;16-15(17,18)13(20)11-12(19)10-8-4-2-1-3-7(8)5-6-9(10)22-14(11)21;/h5-8H,1-4H3;1-6,19H;
InChIKeyDXGYLORJUPNQOD-UHFFFAOYSA-N
XLogP7.41
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.49
LogP ≤ 57.41
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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Frequently Asked Questions

What is the IUPAC name of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline?
The IUPAC name of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline (CID 177066256) is europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline.
What is the SMILES notation for europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline?
The canonical SMILES for europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline is Cc1cc2ccc3cc(C)c(C)nc3c2nc1C.O=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)F.[Eu].
What is the InChIKey of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline?
The InChIKey is DXGYLORJUPNQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.C15H7F3O4.Eu/c1-9-7-13-5-6-14-8-10(2)12(4)18-16(14)15(13)17-11(9)3;16-15(17,18)13(20)11-12(19)10-8-4-2-1-3-7(8)5-6-9(10)22-14(11)21;/h5-8H,1-4H3;1-6,19H;.
What are the key properties of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline?
europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;2,3,8,9-tetramethyl-1,10-phenanthroline has a molecular weight of 696.49 g/mol, XLogP of 7.41, 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;2,3,8,9-tetramethyl-1,10-phenanthroline is sourced from PubChem (CID 177066256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).