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

C27H19EuF3N2O4 — CID 177066178

IUPACeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
SMILESCc1ccnc(-c2cc(C)ccn2)c1.O=C(c1c(O)c2ccc3ccccc3c2oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C15H7F3O4.C12H12N2.Eu/c16-15(17,18)13(20)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)21;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-6,19H;3-8H,1-2H3;
InChIKeyZRSRUSYVCVUOTO-UHFFFAOYSA-N
MW644.42 g/mol
LogP6.16
Rot. Bonds2

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

europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine (PubChem CID 177066178) has the molecular formula C27H19EuF3N2O4 and a molecular weight of 644.42 g/mol. Its IUPAC name is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
PubChem CID177066178
Molecular FormulaC27H19EuF3N2O4
Molecular Weight644.42 g/mol
Exact Mass645.05
IUPAC Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
SMILESCc1ccnc(-c2cc(C)ccn2)c1.O=C(c1c(O)c2ccc3ccccc3c2oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C15H7F3O4.C12H12N2.Eu/c16-15(17,18)13(20)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)21;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-6,19H;3-8H,1-2H3;
InChIKeyZRSRUSYVCVUOTO-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'}

Analyze europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 164723023
CID 164723023
CID 166496764
CID 166496764
CID 166496862
CID 166496862
CID 170658668
CID 170658668
[4-[4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]naphthalen-1-yl] 2,2,2-trifluoroacetate;[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;iridium
CID 172181979
[4-[4-(3,5-Dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]naphthalen-1-yl] 2,2,2-trifluoroacetate;iridium
CID 172181992
[4-[4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]phenyl] 2,2,2-trifluoroacetate;[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;iridium
CID 172182001
[4-[4-(3,5-Dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]phenyl] 2,2,2-trifluoroacetate;iridium
CID 172182066
[(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-ylidene]oxidanium;[4-[4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]phenyl] 2,2,2-trifluoroacetate;iridium
CID 172182080
[(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-ylidene]oxidanium;[4-[4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]naphthalen-1-yl] 2,2,2-trifluoroacetate;iridium
CID 172182096
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;2,3,8,9-tetramethyl-1,10-phenanthroline
CID 177066085

Frequently Asked Questions

What is the IUPAC name of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The IUPAC name of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine (CID 177066178) is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The canonical SMILES for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine is Cc1ccnc(-c2cc(C)ccn2)c1.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;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The InChIKey is ZRSRUSYVCVUOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3O4.C12H12N2.Eu/c16-15(17,18)13(20)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)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;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-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;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;4-methyl-2-(4-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 177066178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).