bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine)

C74H48Co2N8O20 — CID 139166736

IUPACbis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1cc(C(=O)O)cc(-c2c(C(=O)[O-])cc(C(=O)O)cc2C(=O)O)c1.O=C([O-])c1cc(C(=O)O)cc(-c2c(C(=O)[O-])cc(C(=O)O)cc2C(=O)O)c1.[Co+2].[Co+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C17H10O10.4C10H8N2.2Co/c2*18-13(19)7-1-6(2-8(3-7)14(20)21)12-10(16(24)25)4-9(15(22)23)5-11(12)17(26)27;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*1-5H,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);4*1-8H;;/q;;;;;;2*+2/p-4
InChIKeyYEAMPRCKFKBRJG-UHFFFAOYSA-J
MW1487.10 g/mol
LogP6.92
Rot. Bonds16

About bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine)

bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine) (PubChem CID 139166736) has the molecular formula C74H48Co2N8O20 and a molecular weight of 1487.10 g/mol. Its IUPAC name is bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namebis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine)
PubChem CID139166736
Molecular FormulaC74H48Co2N8O20
Molecular Weight1487.10 g/mol
Exact Mass1486.16
IUPAC Namebis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])c1cc(C(=O)O)cc(-c2c(C(=O)[O-])cc(C(=O)O)cc2C(=O)O)c1.O=C([O-])c1cc(C(=O)O)cc(-c2c(C(=O)[O-])cc(C(=O)O)cc2C(=O)O)c1.[Co+2].[Co+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C17H10O10.4C10H8N2.2Co/c2*18-13(19)7-1-6(2-8(3-7)14(20)21)12-10(16(24)25)4-9(15(22)23)5-11(12)17(26)27;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*1-5H,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);4*1-8H;;/q;;;;;;2*+2/p-4
InChIKeyYEAMPRCKFKBRJG-UHFFFAOYSA-J
XLogP6.92
TPSA487.44 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001487.10
LogP ≤ 56.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

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Related Compounds

Tetraoxidanium;bis(4-[2-(4-carboxylatophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoate);bis(nickel(2+));bis(2-pyridin-2-ylpyridine)
CID 168354232
4-[6-[5-(4-Carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium;tetrachlorohafnium;chloride
CID 160136264
4-[6-[5-(4-Carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);methyl 4-[6-[5-(4-methoxycarbonylphenyl)-2-pyridinyl]-3-pyridinyl]benzoate;dichloride
CID 160717367
4-[6-[5-(4-Carboxyphenyl)-2-pyridinyl]-3-pyridinyl]benzoic acid;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 169055341
pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoato)zinc(II)
CID 139059752
[5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]palladium(II)-N,N'-dimethylformamide-water (1/4/4)
CID 139060332
Tris(1,10-phenanthroline-kappa^2^N,N')iron(II) bis(2,4,5-tricarboxybenzoate) monohydrate
CID 139061391
tris(2,2'-bipyridine-kappa^2^N,N')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate-benzene-1,2,4,5-tetracarboxylic acid-water (1/1/2)
CID 139061392
mu-Aqua-bis(mu-2'-carboxybiphenyl-2-carboxylato-kappa^2^O:O')bis[bis(2'-carboxybiphenyl-2-carboxylato-kappaO)(1,10-phenanthroline-kappa^2^N,N')cobalt(II)]
CID 139066953
mu-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] diperchlorate dihydrate
CID 139067420
mu-Oxalato-kappa^2^O^1^,O^2^:kappa^2^O^1'^,O^2'^-bis[(3,5-dicarboxybenzoato-kappa^2^O^1^,O^1'^)(1,10-phenanthroline-kappa^2^N,N')copper(II)]
CID 139071821
Bis(mu-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)copper(II)] tetrahydrate
CID 139072456

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine)?
The IUPAC name of bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine) (CID 139166736) is bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine).
What is the SMILES notation for bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine)?
The canonical SMILES for bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine) is O=C([O-])c1cc(C(=O)O)cc(-c2c(C(=O)[O-])cc(C(=O)O)cc2C(=O)O)c1.O=C([O-])c1cc(C(=O)O)cc(-c2c(C(=O)[O-])cc(C(=O)O)cc2C(=O)O)c1.[Co+2].[Co+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine)?
The InChIKey is YEAMPRCKFKBRJG-UHFFFAOYSA-J. The full InChI is InChI=1S/2C17H10O10.4C10H8N2.2Co/c2*18-13(19)7-1-6(2-8(3-7)14(20)21)12-10(16(24)25)4-9(15(22)23)5-11(12)17(26)27;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*1-5H,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);4*1-8H;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine)?
bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine) has a molecular weight of 1487.10 g/mol, XLogP of 6.92, 16 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(2+));bis(3,5-dicarboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);tetrakis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139166736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).