barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+)

BaLaNb9O27Ti — CID 19988424

IUPACbarium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+)
SMILESO=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].[Ba+2].[La+3].[Ti+4]
InChIInChI=1S/Ba.La.9Nb.27O.Ti/q+2;+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;9*-1;+4
InChIKeyKZYPHOWFECTLGQ-UHFFFAOYSA-N
MW1592.23 g/mol
LogP-13.25
Rot. Bonds

About barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+)

barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+) (PubChem CID 19988424) has the molecular formula BaLaNb9O27Ti and a molecular weight of 1592.23 g/mol. Its IUPAC name is barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+).

Molecular Properties

Compound Namebarium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+)
PubChem CID19988424
Molecular FormulaBaLaNb9O27Ti
Molecular Weight1592.23 g/mol
Exact Mass1592.78
IUPAC Namebarium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+)
SMILESO=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].[Ba+2].[La+3].[Ti+4]
InChIInChI=1S/Ba.La.9Nb.27O.Ti/q+2;+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;9*-1;+4
InChIKeyKZYPHOWFECTLGQ-UHFFFAOYSA-N
XLogP-13.25
TPSA514.80 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001592.23
LogP ≤ 5-13.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

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Frequently Asked Questions

What is the IUPAC name of barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+)?
The IUPAC name of barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+) (CID 19988424) is barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+).
What is the SMILES notation for barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+)?
The canonical SMILES for barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+) is O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].[Ba+2].[La+3].[Ti+4].
What is the InChIKey of barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+)?
The InChIKey is KZYPHOWFECTLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.La.9Nb.27O.Ti/q+2;+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;9*-1;+4.
What are the key properties of barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+)?
barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+) has a molecular weight of 1592.23 g/mol, XLogP of -13.25, 0 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);lanthanum(3+);nonakis(oxido(dioxo)niobium);titanium(4+) is sourced from PubChem (CID 19988424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).