europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline

C31H23EuF3N2O4 — CID 177066085

IUPACeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline
SMILESCc1cc2ccc3cc(C)c(C)nc3c2nc1C.O=C(c1c(O)c2ccc3ccccc3c2oc1=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)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)21;/h5-8H,1-4H3;1-6,19H;
InChIKeyRFHRPNRCTBDQJN-UHFFFAOYSA-N
MW696.49 g/mol
LogP7.41
Rot. Bonds1

About europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline

europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline (PubChem CID 177066085) has the molecular formula C31H23EuF3N2O4 and a molecular weight of 696.49 g/mol. Its IUPAC name is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline
PubChem CID177066085
Molecular FormulaC31H23EuF3N2O4
Molecular Weight696.49 g/mol
Exact Mass697.08
IUPAC Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline
SMILESCc1cc2ccc3cc(C)c(C)nc3c2nc1C.O=C(c1c(O)c2ccc3ccccc3c2oc1=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)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)21;/h5-8H,1-4H3;1-6,19H;
InChIKeyRFHRPNRCTBDQJN-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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Related Compounds

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)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
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-methyl-6-(6-methyl-2-pyridinyl)pyridine
CID 177066224
Europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate
CID 177066242
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-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline?
The IUPAC name of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline (CID 177066085) is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline.
What is the SMILES notation for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline?
The canonical SMILES for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline is Cc1cc2ccc3cc(C)c(C)nc3c2nc1C.O=C(c1c(O)c2ccc3ccccc3c2oc1=O)C(F)(F)F.[Eu].
What is the InChIKey of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline?
The InChIKey is RFHRPNRCTBDQJN-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)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)21;/h5-8H,1-4H3;1-6,19H;.
What are the key properties of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline?
europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-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;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,8,9-tetramethyl-1,10-phenanthroline is sourced from PubChem (CID 177066085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).