bis(naphthalene-2-carboxylate);nickel(2+)

C22H14NiO4 — CID 14647680

IUPACbis(naphthalene-2-carboxylate);nickel(2+)
SMILESO=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[Ni+2]
InChIInChI=1S/2C11H8O2.Ni/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
InChIKeyUIEKYBOPAVTZKW-UHFFFAOYSA-L
MW401.04 g/mol
LogP2.40
Rot. Bonds2

About bis(naphthalene-2-carboxylate);nickel(2+)

bis(naphthalene-2-carboxylate);nickel(2+) (PubChem CID 14647680) has the molecular formula C22H14NiO4 and a molecular weight of 401.04 g/mol. Its IUPAC name is bis(naphthalene-2-carboxylate);nickel(2+).

Molecular Properties

Compound Namebis(naphthalene-2-carboxylate);nickel(2+)
PubChem CID14647680
Molecular FormulaC22H14NiO4
Molecular Weight401.04 g/mol
Exact Mass400.02
IUPAC Namebis(naphthalene-2-carboxylate);nickel(2+)
SMILESO=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[Ni+2]
InChIInChI=1S/2C11H8O2.Ni/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
InChIKeyUIEKYBOPAVTZKW-UHFFFAOYSA-L
XLogP2.40
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.04
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(naphthalene-2-carboxylate);nickel(2+)?
The IUPAC name of bis(naphthalene-2-carboxylate);nickel(2+) (CID 14647680) is bis(naphthalene-2-carboxylate);nickel(2+).
What is the SMILES notation for bis(naphthalene-2-carboxylate);nickel(2+)?
The canonical SMILES for bis(naphthalene-2-carboxylate);nickel(2+) is O=C([O-])c1ccc2ccccc2c1.O=C([O-])c1ccc2ccccc2c1.[Ni+2].
What is the InChIKey of bis(naphthalene-2-carboxylate);nickel(2+)?
The InChIKey is UIEKYBOPAVTZKW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H8O2.Ni/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2.
What are the key properties of bis(naphthalene-2-carboxylate);nickel(2+)?
bis(naphthalene-2-carboxylate);nickel(2+) has a molecular weight of 401.04 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(naphthalene-2-carboxylate);nickel(2+) is sourced from PubChem (CID 14647680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).