europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine

C27H19EuF3N2O4 — CID 177066369

IUPACeuropium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
SMILESCc1ccnc(-c2cc(C)ccn2)c1.O=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C15H7F3O4.C12H12N2.Eu/c16-15(17,18)13(20)11-12(19)10-8-4-2-1-3-7(8)5-6-9(10)22-14(11)21;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-6,19H;3-8H,1-2H3;
InChIKeyPKRIWJSXYZTXSG-UHFFFAOYSA-N
MW644.42 g/mol
LogP6.16
Rot. Bonds2

About europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine

europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine (PubChem CID 177066369) has the molecular formula C27H19EuF3N2O4 and a molecular weight of 644.42 g/mol. Its IUPAC name is europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Nameeuropium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
PubChem CID177066369
Molecular FormulaC27H19EuF3N2O4
Molecular Weight644.42 g/mol
Exact Mass645.05
IUPAC Nameeuropium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
SMILESCc1ccnc(-c2cc(C)ccn2)c1.O=C(c1c(O)c2c(ccc3ccccc32)oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C15H7F3O4.C12H12N2.Eu/c16-15(17,18)13(20)11-12(19)10-8-4-2-1-3-7(8)5-6-9(10)22-14(11)21;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-6,19H;3-8H,1-2H3;
InChIKeyPKRIWJSXYZTXSG-UHFFFAOYSA-N
XLogP6.16
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.42
LogP ≤ 56.16
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;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The IUPAC name of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine (CID 177066369) is europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The canonical SMILES for europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine is Cc1ccnc(-c2cc(C)ccn2)c1.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;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The InChIKey is PKRIWJSXYZTXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3O4.C12H12N2.Eu/c16-15(17,18)13(20)11-12(19)10-8-4-2-1-3-7(8)5-6-9(10)22-14(11)21;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-6,19H;3-8H,1-2H3;.
What are the key properties of europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine has a molecular weight of 644.42 g/mol, XLogP of 6.16, 2 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;4-methyl-2-(4-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 177066369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).