europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate

C23H18EuF3NO6 — CID 177066602

IUPACeuropium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
SMILESO.O.O=C(c1c(O)c2ccc(N(c3ccccc3)c3ccccc3)cc2oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C23H14F3NO4.Eu.2H2O/c24-23(25,26)21(29)19-20(28)17-12-11-16(13-18(17)31-22(19)30)27(14-7-3-1-4-8-14)15-9-5-2-6-10-15;;;/h1-13,28H;;2*1H2
InChIKeyMQUNFAWHEKUNOM-UHFFFAOYSA-N
MW613.36 g/mol
LogP4.06
Rot. Bonds4

About europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate

europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate (PubChem CID 177066602) has the molecular formula C23H18EuF3NO6 and a molecular weight of 613.36 g/mol. Its IUPAC name is europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate.

Molecular Properties

Compound Nameeuropium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
PubChem CID177066602
Molecular FormulaC23H18EuF3NO6
Molecular Weight613.36 g/mol
Exact Mass614.03
IUPAC Nameeuropium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
SMILESO.O.O=C(c1c(O)c2ccc(N(c3ccccc3)c3ccccc3)cc2oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C23H14F3NO4.Eu.2H2O/c24-23(25,26)21(29)19-20(28)17-12-11-16(13-18(17)31-22(19)30)27(14-7-3-1-4-8-14)15-9-5-2-6-10-15;;;/h1-13,28H;;2*1H2
InChIKeyMQUNFAWHEKUNOM-UHFFFAOYSA-N
XLogP4.06
TPSA133.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyano-N-[4-hydroxy-2-oxo-3-(2,2,2-trifluoroacetyl)chromen-7-yl]anilino)benzonitrile
CID 167299982
4-hydroxy-7-(N-methylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299727
7-(N-(3,5-difluorophenyl)-3,5-difluoroanilino)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;bis(diphenylphosphorylbenzene);europium
CID 177066659
bis(diphenylphosphorylbenzene);europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(3,4,5-trifluoro-N-(3,4,5-trifluorophenyl)anilino)chromen-2-one
CID 177066285
7-[N-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)anilino]-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299945
4-chloro-7-(dimethylamino)-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 123294448
1-hydroxy-9-propyl-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one
CID 167299955
N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406
3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione
CID 164765343
bis(diphenylphosphorylbenzene);europium;4-hydroxy-8-phenoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 177066431
2,2,2-trifluoro-1-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]ethanone
CID 90161708
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632

Frequently Asked Questions

What is the IUPAC name of europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate?
The IUPAC name of europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate (CID 177066602) is europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate.
What is the SMILES notation for europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate?
The canonical SMILES for europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate is O.O.O=C(c1c(O)c2ccc(N(c3ccccc3)c3ccccc3)cc2oc1=O)C(F)(F)F.[Eu].
What is the InChIKey of europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate?
The InChIKey is MQUNFAWHEKUNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO4.Eu.2H2O/c24-23(25,26)21(29)19-20(28)17-12-11-16(13-18(17)31-22(19)30)27(14-7-3-1-4-8-14)15-9-5-2-6-10-15;;;/h1-13,28H;;2*1H2.
What are the key properties of europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate?
europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate has a molecular weight of 613.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate is sourced from PubChem (CID 177066602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).