4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium

C31H24EuF3N3O3 — CID 177066142

IUPAC4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
SMILESCCn1c(=O)c(C(=O)C(F)(F)F)c(O)c2ccc3ccccc3c21.Cc1ccnc2c1ccc1c(C)ccnc12.[Eu]
InChIInChI=1S/C17H12F3NO3.C14H12N2.Eu/c1-2-21-13-10-6-4-3-5-9(10)7-8-11(13)14(22)12(16(21)24)15(23)17(18,19)20;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;/h3-8,22H,2H2,1H3;3-8H,1-2H3;
InChIKeyBCJZMGDWEFXKIX-UHFFFAOYSA-N
MW695.51 g/mol
LogP7.03
Rot. Bonds2

About 4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium

4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium (PubChem CID 177066142) has the molecular formula C31H24EuF3N3O3 and a molecular weight of 695.51 g/mol. Its IUPAC name is 4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium.

Molecular Properties

Compound Name4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
PubChem CID177066142
Molecular FormulaC31H24EuF3N3O3
Molecular Weight695.51 g/mol
Exact Mass696.10
IUPAC Name4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
SMILESCCn1c(=O)c(C(=O)C(F)(F)F)c(O)c2ccc3ccccc3c21.Cc1ccnc2c1ccc1c(C)ccnc12.[Eu]
InChIInChI=1S/C17H12F3NO3.C14H12N2.Eu/c1-2-21-13-10-6-4-3-5-9(10)7-8-11(13)14(22)12(16(21)24)15(23)17(18,19)20;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;/h3-8,22H,2H2,1H3;3-8H,1-2H3;
InChIKeyBCJZMGDWEFXKIX-UHFFFAOYSA-N
XLogP7.03
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.51
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
The IUPAC name of 4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium (CID 177066142) is 4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium.
What is the SMILES notation for 4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
The canonical SMILES for 4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium is CCn1c(=O)c(C(=O)C(F)(F)F)c(O)c2ccc3ccccc3c21.Cc1ccnc2c1ccc1c(C)ccnc12.[Eu].
What is the InChIKey of 4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
The InChIKey is BCJZMGDWEFXKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3.C14H12N2.Eu/c1-2-21-13-10-6-4-3-5-9(10)7-8-11(13)14(22)12(16(21)24)15(23)17(18,19)20;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;/h3-8,22H,2H2,1H3;3-8H,1-2H3;.
What are the key properties of 4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium has a molecular weight of 695.51 g/mol, XLogP of 7.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium is sourced from PubChem (CID 177066142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).