europium(3+);1,7-phenanthroline;trinitrate

C12H8EuN5O9 — CID 174550774

IUPACeuropium(3+);1,7-phenanthroline;trinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Eu+3].c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.Eu.3NO3/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;;3*2-1(3)4/h1-8H;;;;/q;+3;3*-1
InChIKeyACGIDGSPLSOAKH-UHFFFAOYSA-N
MW518.19 g/mol
LogP2.07
Rot. Bonds

About europium(3+);1,7-phenanthroline;trinitrate

europium(3+);1,7-phenanthroline;trinitrate (PubChem CID 174550774) has the molecular formula C12H8EuN5O9 and a molecular weight of 518.19 g/mol. Its IUPAC name is europium(3+);1,7-phenanthroline;trinitrate.

Molecular Properties

Compound Nameeuropium(3+);1,7-phenanthroline;trinitrate
PubChem CID174550774
Molecular FormulaC12H8EuN5O9
Molecular Weight518.19 g/mol
Exact Mass518.95
IUPAC Nameeuropium(3+);1,7-phenanthroline;trinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Eu+3].c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.Eu.3NO3/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;;3*2-1(3)4/h1-8H;;;;/q;+3;3*-1
InChIKeyACGIDGSPLSOAKH-UHFFFAOYSA-N
XLogP2.07
TPSA224.38 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of europium(3+);1,7-phenanthroline;trinitrate?
The IUPAC name of europium(3+);1,7-phenanthroline;trinitrate (CID 174550774) is europium(3+);1,7-phenanthroline;trinitrate.
What is the SMILES notation for europium(3+);1,7-phenanthroline;trinitrate?
The canonical SMILES for europium(3+);1,7-phenanthroline;trinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Eu+3].c1cnc2c(c1)ccc1ncccc12.
What is the InChIKey of europium(3+);1,7-phenanthroline;trinitrate?
The InChIKey is ACGIDGSPLSOAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.Eu.3NO3/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;;3*2-1(3)4/h1-8H;;;;/q;+3;3*-1.
What are the key properties of europium(3+);1,7-phenanthroline;trinitrate?
europium(3+);1,7-phenanthroline;trinitrate has a molecular weight of 518.19 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);1,7-phenanthroline;trinitrate is sourced from PubChem (CID 174550774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).