tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+)

C51H69EuN21+3 — CID 139251887

IUPACtris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+)
SMILESCCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1.CCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1.CCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1.[Eu+3]
InChIInChI=1S/3C17H23N7.Eu/c3*1-3-5-10-23-12-16(19-21-23)14-8-7-9-15(18-14)17-13-24(22-20-17)11-6-4-2;/h3*7-9,12-13H,3-6,10-11H2,1-2H3;/q;;;+3
InChIKeyZPLHMZMULGHRLS-UHFFFAOYSA-N
MW1128.22 g/mol
LogP9.60
Rot. Bonds24

About tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+)

tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+) (PubChem CID 139251887) has the molecular formula C51H69EuN21+3 and a molecular weight of 1128.22 g/mol. Its IUPAC name is tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+).

Molecular Properties

Compound Nametris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+)
PubChem CID139251887
Molecular FormulaC51H69EuN21+3
Molecular Weight1128.22 g/mol
Exact Mass1128.52
IUPAC Nametris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+)
SMILESCCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1.CCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1.CCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1.[Eu+3]
InChIInChI=1S/3C17H23N7.Eu/c3*1-3-5-10-23-12-16(19-21-23)14-8-7-9-15(18-14)17-13-24(22-20-17)11-6-4-2;/h3*7-9,12-13H,3-6,10-11H2,1-2H3;/q;;;+3
InChIKeyZPLHMZMULGHRLS-UHFFFAOYSA-N
XLogP9.60
TPSA222.93 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001128.22
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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Frequently Asked Questions

What is the IUPAC name of tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+)?
The IUPAC name of tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+) (CID 139251887) is tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+).
What is the SMILES notation for tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+)?
The canonical SMILES for tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+) is CCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1.CCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1.CCCCn1cc(-c2cccc(-c3cn(CCCC)nn3)n2)nn1.[Eu+3].
What is the InChIKey of tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+)?
The InChIKey is ZPLHMZMULGHRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H23N7.Eu/c3*1-3-5-10-23-12-16(19-21-23)14-8-7-9-15(18-14)17-13-24(22-20-17)11-6-4-2;/h3*7-9,12-13H,3-6,10-11H2,1-2H3;/q;;;+3.
What are the key properties of tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+)?
tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+) has a molecular weight of 1128.22 g/mol, XLogP of 9.60, 24 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,6-bis(1-butyltriazol-4-yl)pyridine);europium(3+) is sourced from PubChem (CID 139251887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).