bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)

C44H32CoN6O6S2 — CID 139070934

IUPACbis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)
SMILESNc1ccc2ccccc2c1S(=O)(=O)[O-].Nc1ccc2ccccc2c1S(=O)(=O)[O-].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C10H9NO3S.Co/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h2*1-8H;2*1-6H,11H2,(H,12,13,14);/q;;;;+2/p-2
InChIKeyJUNBGGOGSFEMLH-UHFFFAOYSA-L
MW863.84 g/mol
LogP8.22
Rot. Bonds2

About bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)

bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline) (PubChem CID 139070934) has the molecular formula C44H32CoN6O6S2 and a molecular weight of 863.84 g/mol. Its IUPAC name is bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline).

Molecular Properties

Compound Namebis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)
PubChem CID139070934
Molecular FormulaC44H32CoN6O6S2
Molecular Weight863.84 g/mol
Exact Mass863.12
IUPAC Namebis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)
SMILESNc1ccc2ccccc2c1S(=O)(=O)[O-].Nc1ccc2ccccc2c1S(=O)(=O)[O-].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C10H9NO3S.Co/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h2*1-8H;2*1-6H,11H2,(H,12,13,14);/q;;;;+2/p-2
InChIKeyJUNBGGOGSFEMLH-UHFFFAOYSA-L
XLogP8.22
TPSA218.00 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.84
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)?
The IUPAC name of bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline) (CID 139070934) is bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline).
What is the SMILES notation for bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)?
The canonical SMILES for bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline) is Nc1ccc2ccccc2c1S(=O)(=O)[O-].Nc1ccc2ccccc2c1S(=O)(=O)[O-].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)?
The InChIKey is JUNBGGOGSFEMLH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H8N2.2C10H9NO3S.Co/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14;/h2*1-8H;2*1-6H,11H2,(H,12,13,14);/q;;;;+2/p-2.
What are the key properties of bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline)?
bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline) has a molecular weight of 863.84 g/mol, XLogP of 8.22, 2 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminonaphthalene-1-sulfonate);cobalt(2+);bis(1,10-phenanthroline) is sourced from PubChem (CID 139070934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).