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

C31H27EuF3N2O4 — CID 177066046

IUPACeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,4-trimethyl-6-(4,5,6-trimethyl-2-pyridinyl)pyridine
SMILESCc1cc(-c2cc(C)c(C)c(C)n2)nc(C)c1C.O=C(c1c(O)c2ccc3ccccc3c2oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C16H20N2.C15H7F3O4.Eu/c1-9-7-15(17-13(5)11(9)3)16-8-10(2)12(4)14(6)18-16;16-15(17,18)13(20)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)21;/h7-8H,1-6H3;1-6,19H;
InChIKeyMSSJZZUURGPUTB-UHFFFAOYSA-N
MW700.53 g/mol
LogP7.39
Rot. Bonds2

About 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

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 (PubChem CID 177066046) has the molecular formula C31H27EuF3N2O4 and a molecular weight of 700.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,4-trimethyl-6-(4,5,6-trimethyl-2-pyridinyl)pyridine
PubChem CID177066046
Molecular FormulaC31H27EuF3N2O4
Molecular Weight700.53 g/mol
Exact Mass701.11
IUPAC Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,4-trimethyl-6-(4,5,6-trimethyl-2-pyridinyl)pyridine
SMILESCc1cc(-c2cc(C)c(C)c(C)n2)nc(C)c1C.O=C(c1c(O)c2ccc3ccccc3c2oc1=O)C(F)(F)F.[Eu]
InChIInChI=1S/C16H20N2.C15H7F3O4.Eu/c1-9-7-15(17-13(5)11(9)3)16-8-10(2)12(4)14(6)18-16;16-15(17,18)13(20)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)21;/h7-8H,1-6H3;1-6,19H;
InChIKeyMSSJZZUURGPUTB-UHFFFAOYSA-N
XLogP7.39
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.53
LogP ≤ 57.39
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;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;2,3,4-trimethyl-6-(4,5,6-trimethyl-2-pyridinyl)pyridine?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cc(C)c(C)c(C)n2)nc(C)c1C.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;2,3,4-trimethyl-6-(4,5,6-trimethyl-2-pyridinyl)pyridine?
The InChIKey is MSSJZZUURGPUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.C15H7F3O4.Eu/c1-9-7-15(17-13(5)11(9)3)16-8-10(2)12(4)14(6)18-16;16-15(17,18)13(20)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)21;/h7-8H,1-6H3;1-6,19H;.
What are the key properties of 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?
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 has a molecular weight of 700.53 g/mol, XLogP of 7.39, 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;2,3,4-trimethyl-6-(4,5,6-trimethyl-2-pyridinyl)pyridine is sourced from PubChem (CID 177066046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).