nonakis(iron(2+));nickel;hexadecasulfide

Fe9Ni9S16-14 — CID 123131981

IUPACnonakis(iron(2+));nickel;hexadecasulfide
SMILES[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2]
InChIInChI=1S/9Fe.9Ni.16S/q9*+2;;;;;;;;;;16*-2
InChIKeyBHKRKDKGNMIIFU-UHFFFAOYSA-N
MW1543.91 g/mol
LogP-0.08
Rot. Bonds

About nonakis(iron(2+));nickel;hexadecasulfide

nonakis(iron(2+));nickel;hexadecasulfide (PubChem CID 123131981) has the molecular formula Fe9Ni9S16-14 and a molecular weight of 1543.91 g/mol. Its IUPAC name is nonakis(iron(2+));nickel;hexadecasulfide.

Molecular Properties

Compound Namenonakis(iron(2+));nickel;hexadecasulfide
PubChem CID123131981
Molecular FormulaFe9Ni9S16-14
Molecular Weight1543.91 g/mol
Exact Mass1536.39
IUPAC Namenonakis(iron(2+));nickel;hexadecasulfide
SMILES[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2]
InChIInChI=1S/9Fe.9Ni.16S/q9*+2;;;;;;;;;;16*-2
InChIKeyBHKRKDKGNMIIFU-UHFFFAOYSA-N
XLogP-0.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001543.91
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 nonakis(iron(2+));nickel;hexadecasulfide?
The IUPAC name of nonakis(iron(2+));nickel;hexadecasulfide (CID 123131981) is nonakis(iron(2+));nickel;hexadecasulfide.
What is the SMILES notation for nonakis(iron(2+));nickel;hexadecasulfide?
The canonical SMILES for nonakis(iron(2+));nickel;hexadecasulfide is [Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[Ni].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].
What is the InChIKey of nonakis(iron(2+));nickel;hexadecasulfide?
The InChIKey is BHKRKDKGNMIIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/9Fe.9Ni.16S/q9*+2;;;;;;;;;;16*-2.
What are the key properties of nonakis(iron(2+));nickel;hexadecasulfide?
nonakis(iron(2+));nickel;hexadecasulfide has a molecular weight of 1543.91 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(iron(2+));nickel;hexadecasulfide is sourced from PubChem (CID 123131981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).