bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)

C30H24Co2N2O8 — CID 172907782

IUPACbis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)
SMILESC1CN2CCN1CC2.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.[Co+2].[Co+2]
InChIInChI=1S/2C12H8O4.C6H12N2.2Co/c2*13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;1-2-8-5-3-7(1)4-6-8;;/h2*1-6H,(H,13,14)(H,15,16);1-6H2;;/q;;;2*+2/p-4
InChIKeyYXZVYOKYOYIGGO-UHFFFAOYSA-J
MW658.39 g/mol
LogP-1.25
Rot. Bonds4

About bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)

bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate) (PubChem CID 172907782) has the molecular formula C30H24Co2N2O8 and a molecular weight of 658.39 g/mol. Its IUPAC name is bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate).

Molecular Properties

Compound Namebis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)
PubChem CID172907782
Molecular FormulaC30H24Co2N2O8
Molecular Weight658.39 g/mol
Exact Mass658.02
IUPAC Namebis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)
SMILESC1CN2CCN1CC2.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.[Co+2].[Co+2]
InChIInChI=1S/2C12H8O4.C6H12N2.2Co/c2*13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;1-2-8-5-3-7(1)4-6-8;;/h2*1-6H,(H,13,14)(H,15,16);1-6H2;;/q;;;2*+2/p-4
InChIKeyYXZVYOKYOYIGGO-UHFFFAOYSA-J
XLogP-1.25
TPSA167.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500658.39
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))
CID 175019109
magnesium naphthalene-2,6-dicarboxylate
CID 67200509
anthracene-2,6-dicarboxylate
CID 86309851
potassium naphthalene-2-carboxylate
CID 23664129
anthracene-2-carboxylate
CID 11160355
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)?
The IUPAC name of bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate) (CID 172907782) is bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate).
What is the SMILES notation for bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)?
The canonical SMILES for bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate) is C1CN2CCN1CC2.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.O=C([O-])c1ccc2cc(C(=O)[O-])ccc2c1.[Co+2].[Co+2].
What is the InChIKey of bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)?
The InChIKey is YXZVYOKYOYIGGO-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8O4.C6H12N2.2Co/c2*13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;1-2-8-5-3-7(1)4-6-8;;/h2*1-6H,(H,13,14)(H,15,16);1-6H2;;/q;;;2*+2/p-4.
What are the key properties of bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate)?
bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate) has a molecular weight of 658.39 g/mol, XLogP of -1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(2+));1,4-diazabicyclo[2.2.2]octane;bis(naphthalene-2,6-dicarboxylate) is sourced from PubChem (CID 172907782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).