2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate

C28H22CoN2O6 — CID 139074619

IUPAC2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.O=C(O)c1ccccc1[O-].O=C([O-])c1ccccc1O.[Co+2]
InChIInChI=1S/C14H12N2.2C7H6O3.Co/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*8-6-4-2-1-3-5(6)7(9)10;/h3-8H,1-2H3;2*1-4,8H,(H,9,10);/q;;;+2/p-2
InChIKeyKZYFINHLEVQFRB-UHFFFAOYSA-L
MW541.43 g/mol
LogP3.61
Rot. Bonds2

About 2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate

2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate (PubChem CID 139074619) has the molecular formula C28H22CoN2O6 and a molecular weight of 541.43 g/mol. Its IUPAC name is 2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate.

Molecular Properties

Compound Name2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate
PubChem CID139074619
Molecular FormulaC28H22CoN2O6
Molecular Weight541.43 g/mol
Exact Mass541.08
IUPAC Name2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.O=C(O)c1ccccc1[O-].O=C([O-])c1ccccc1O.[Co+2]
InChIInChI=1S/C14H12N2.2C7H6O3.Co/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*8-6-4-2-1-3-5(6)7(9)10;/h3-8H,1-2H3;2*1-4,8H,(H,9,10);/q;;;+2/p-2
InChIKeyKZYFINHLEVQFRB-UHFFFAOYSA-L
XLogP3.61
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 10669858
CID 10669858
CID 23709621
CID 23709621
CID 11060384
CID 11060384
CID 6611504
CID 6611504
CID 20606756
CID 20606756
CID 20606788
CID 20606788
CID 20606814
CID 20606814
CID 20606815
CID 20606815
CID 139040814
CID 139040814
CID 139049178
CID 139049178
CID 139056658
CID 139056658
CID 139067421
CID 139067421

Frequently Asked Questions

What is the IUPAC name of 2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate?
The IUPAC name of 2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate (CID 139074619) is 2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate.
What is the SMILES notation for 2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate?
The canonical SMILES for 2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate is Cc1ccc2ccc3ccc(C)nc3c2n1.O=C(O)c1ccccc1[O-].O=C([O-])c1ccccc1O.[Co+2].
What is the InChIKey of 2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate?
The InChIKey is KZYFINHLEVQFRB-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12N2.2C7H6O3.Co/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;2*8-6-4-2-1-3-5(6)7(9)10;/h3-8H,1-2H3;2*1-4,8H,(H,9,10);/q;;;+2/p-2.
What are the key properties of 2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate?
2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate has a molecular weight of 541.43 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyphenolate;cobalt(2+);2,9-dimethyl-1,10-phenanthroline;2-hydroxybenzoate is sourced from PubChem (CID 139074619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).