pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane)

H9FeNb5O15Pb2 — CID 173313342

IUPACpentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane)
SMILESO=[Nb](=O)O.O=[Nb](=O)O.O=[Nb](=O)O.O=[Nb](=O)O.O=[Nb](=O)O.[Fe].[PbH2].[PbH2]
InChIInChI=1S/Fe.5Nb.5H2O.10O.2Pb.4H/h;;;;;;5*1H2;;;;;;;;;;;;;;;;/q;5*+1;;;;;;;;;;;;;;;;;;;;;/p-5
InChIKeyOTEQSOHXAMVMAU-UHFFFAOYSA-I
MW1183.83 g/mol
LogP-5.82
Rot. Bonds

About pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane)

pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane) (PubChem CID 173313342) has the molecular formula H9FeNb5O15Pb2 and a molecular weight of 1183.83 g/mol. Its IUPAC name is pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane).

Molecular Properties

Compound Namepentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane)
PubChem CID173313342
Molecular FormulaH9FeNb5O15Pb2
Molecular Weight1183.83 g/mol
Exact Mass1185.41
IUPAC Namepentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane)
SMILESO=[Nb](=O)O.O=[Nb](=O)O.O=[Nb](=O)O.O=[Nb](=O)O.O=[Nb](=O)O.[Fe].[PbH2].[PbH2]
InChIInChI=1S/Fe.5Nb.5H2O.10O.2Pb.4H/h;;;;;;5*1H2;;;;;;;;;;;;;;;;/q;5*+1;;;;;;;;;;;;;;;;;;;;;/p-5
InChIKeyOTEQSOHXAMVMAU-UHFFFAOYSA-I
XLogP-5.82
TPSA271.85 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001183.83
LogP ≤ 5-5.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane)?
The IUPAC name of pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane) (CID 173313342) is pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane).
What is the SMILES notation for pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane)?
The canonical SMILES for pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane) is O=[Nb](=O)O.O=[Nb](=O)O.O=[Nb](=O)O.O=[Nb](=O)O.O=[Nb](=O)O.[Fe].[PbH2].[PbH2].
What is the InChIKey of pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane)?
The InChIKey is OTEQSOHXAMVMAU-UHFFFAOYSA-I. The full InChI is InChI=1S/Fe.5Nb.5H2O.10O.2Pb.4H/h;;;;;;5*1H2;;;;;;;;;;;;;;;;/q;5*+1;;;;;;;;;;;;;;;;;;;;;/p-5.
What are the key properties of pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane)?
pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane) has a molecular weight of 1183.83 g/mol, XLogP of -5.82, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(hydroxy(dioxo)niobium);iron;bis(λ2-plumbane) is sourced from PubChem (CID 173313342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).