bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+))

Ba2Eu2O15Ti5 — CID 173272431

IUPACbis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+))
SMILESO=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Ba+2].[Ba+2].[Eu+3].[Eu+3]
InChIInChI=1S/2Ba.2Eu.15O.5Ti/q2*+2;2*+3;;;;;;10*-1;;;;;
InChIKeyUCXRXZVMOFDXCD-UHFFFAOYSA-N
MW1057.90 g/mol
LogP-13.26
Rot. Bonds

About bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+))

bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+)) (PubChem CID 173272431) has the molecular formula Ba2Eu2O15Ti5 and a molecular weight of 1057.90 g/mol. Its IUPAC name is bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+)).

Molecular Properties

Compound Namebis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+))
PubChem CID173272431
Molecular FormulaBa2Eu2O15Ti5
Molecular Weight1057.90 g/mol
Exact Mass1061.32
IUPAC Namebis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+))
SMILESO=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Ba+2].[Ba+2].[Eu+3].[Eu+3]
InChIInChI=1S/2Ba.2Eu.15O.5Ti/q2*+2;2*+3;;;;;;10*-1;;;;;
InChIKeyUCXRXZVMOFDXCD-UHFFFAOYSA-N
XLogP-13.26
TPSA315.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.90
LogP ≤ 5-13.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+))?
The IUPAC name of bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+)) (CID 173272431) is bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+)).
What is the SMILES notation for bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+))?
The canonical SMILES for bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+)) is O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Ba+2].[Ba+2].[Eu+3].[Eu+3].
What is the InChIKey of bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+))?
The InChIKey is UCXRXZVMOFDXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ba.2Eu.15O.5Ti/q2*+2;2*+3;;;;;;10*-1;;;;;.
What are the key properties of bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+))?
bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+)) has a molecular weight of 1057.90 g/mol, XLogP of -13.26, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(barium(2+));pentakis(dioxido(oxo)titanium);bis(europium(3+)) is sourced from PubChem (CID 173272431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).