bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine)

C70H46Co2N6O10 — CID 139062289

IUPACbis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine)
SMILESO=C([O-])c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1.O=C([O-])c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1.[Co+2].[Co+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C21H15N3.2C14H10O5.2Co/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;;/h2*1-15H;2*1-8H,(H,15,16)(H,17,18);;/q;;;;2*+2/p-4
InChIKeyAMRVDMFFLJFDCM-UHFFFAOYSA-J
MW1249.04 g/mol
LogP10.15
Rot. Bonds14

About bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine)

bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine) (PubChem CID 139062289) has the molecular formula C70H46Co2N6O10 and a molecular weight of 1249.04 g/mol. Its IUPAC name is bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine).

Molecular Properties

Compound Namebis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine)
PubChem CID139062289
Molecular FormulaC70H46Co2N6O10
Molecular Weight1249.04 g/mol
Exact Mass1248.19
IUPAC Namebis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine)
SMILESO=C([O-])c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1.O=C([O-])c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1.[Co+2].[Co+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/2C21H15N3.2C14H10O5.2Co/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;;/h2*1-15H;2*1-8H,(H,15,16)(H,17,18);;/q;;;;2*+2/p-4
InChIKeyAMRVDMFFLJFDCM-UHFFFAOYSA-J
XLogP10.15
TPSA256.32 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.04
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

cadmium(2+);4-oxo-2-phenylchromen-3-olate;1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139036960
acetonitrile;2-benzoyloxybenzoate;cadmium(2+);1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine;perchlorate
CID 139036963
Bis(manganese(2+));bis(4-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139169985
Bis(manganese(2+));bis(2-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139169987
Bis(manganese(2+));bis(3-methoxybenzoate);tetrakis(2-pyridin-2-ylpyridine);diperchlorate
CID 139169988
Dizinc;2-carboxyphenolate;tris(2-hydroxybenzoate);bis(4-phenyl-2,6-dipyridin-2-ylpyridine)
CID 139176318
Magnesium;bis(1,4-diazabicyclo[2.2.2]octane);[4-[10,15,20-tris(4-benzoyloxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl] benzoate
CID 168307355
(Piperazine-kappaN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]\ porphyrinato-kappa^4^N}zinc unknown solvate
CID 168326424
4-[3,5-Bis[[bis(pyridin-2-ylmethyl)amino]methyl]-4-oxidophenyl]-2,6-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenolate;tetrakis(cobalt(3+));bis(tetraphenylboranuide);tetrabenzoate
CID 168336985
(Z)-1,3-bis(4-methoxyphenyl)-3-oxoprop-1-en-1-olate;1,4-dioxane;dysprosium(3+);2-formyl-6-[[2-[(3-formyl-5-methyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate
CID 168343670
(Z)-1,3-bis(4-methoxyphenyl)-3-oxoprop-1-en-1-olate;dysprosium(3+);2-formyl-6-[[2-[(3-formyl-5-methyl-2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenolate
CID 168343671
Bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxybenzoate);methanol;bis(nickel(3+));dichloride
CID 168348361

Frequently Asked Questions

What is the IUPAC name of bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine)?
The IUPAC name of bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine) (CID 139062289) is bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine).
What is the SMILES notation for bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine)?
The canonical SMILES for bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine) is O=C([O-])c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1.O=C([O-])c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1.[Co+2].[Co+2].c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine)?
The InChIKey is AMRVDMFFLJFDCM-UHFFFAOYSA-J. The full InChI is InChI=1S/2C21H15N3.2C14H10O5.2Co/c2*1-2-8-16(9-3-1)17-14-20(18-10-4-6-12-22-18)24-21(15-17)19-11-5-7-13-23-19;2*15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;;/h2*1-15H;2*1-8H,(H,15,16)(H,17,18);;/q;;;;2*+2/p-4.
What are the key properties of bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine)?
bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine) has a molecular weight of 1249.04 g/mol, XLogP of 10.15, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-carboxylatophenoxy)benzoate);bis(cobalt(2+));bis(4-phenyl-2,6-dipyridin-2-ylpyridine) is sourced from PubChem (CID 139062289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).