europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate

C23H16EuF3NO6 — CID 177066242

IUPACeuropium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate
SMILESO.O.O=C(c1c(O)c2c(ccc3c2c2ccccc2n3-c2ccccc2)oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C23H12F3NO4.Eu.2H2O/c24-23(25,26)21(29)19-20(28)18-16(31-22(19)30)11-10-15-17(18)13-8-4-5-9-14(13)27(15)12-6-2-1-3-7-12;;;/h1-11,28H;;2*1H2
InChIKeyRIOFLKYMBZOMQW-UHFFFAOYSA-N
MW611.34 g/mol
LogP3.69
Rot. Bonds2

About europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate

europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate (PubChem CID 177066242) has the molecular formula C23H16EuF3NO6 and a molecular weight of 611.34 g/mol. Its IUPAC name is europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate.

Molecular Properties

Compound Nameeuropium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate
PubChem CID177066242
Molecular FormulaC23H16EuF3NO6
Molecular Weight611.34 g/mol
Exact Mass612.01
IUPAC Nameeuropium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate
SMILESO.O.O=C(c1c(O)c2c(ccc3c2c2ccccc2n3-c2ccccc2)oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C23H12F3NO4.Eu.2H2O/c24-23(25,26)21(29)19-20(28)18-16(31-22(19)30)11-10-15-17(18)13-8-4-5-9-14(13)27(15)12-6-2-1-3-7-12;;;/h1-11,28H;;2*1H2
InChIKeyRIOFLKYMBZOMQW-UHFFFAOYSA-N
XLogP3.69
TPSA135.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate?
The IUPAC name of europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate (CID 177066242) is europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate.
What is the SMILES notation for europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate?
The canonical SMILES for europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate is O.O.O=C(c1c(O)c2c(ccc3c2c2ccccc2n3-c2ccccc2)oc1=O)C(F)(F)F.[Eu].
What is the InChIKey of europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate?
The InChIKey is RIOFLKYMBZOMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F3NO4.Eu.2H2O/c24-23(25,26)21(29)19-20(28)18-16(31-22(19)30)11-10-15-17(18)13-8-4-5-9-14(13)27(15)12-6-2-1-3-7-12;;;/h1-11,28H;;2*1H2.
What are the key properties of europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate?
europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate has a molecular weight of 611.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for europium;1-hydroxy-7-phenyl-2-(2,2,2-trifluoroacetyl)pyrano[2,3-c]carbazol-3-one;dihydrate is sourced from PubChem (CID 177066242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).