tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+))

C52H32Br4Co2N8O4 — CID 139087006

IUPACtetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+))
SMILES[Co+2].[Co+2].[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/4C13H9BrN2O.2Co/c4*14-8-5-6-12(17)9(7-8)13-15-10-3-1-2-4-11(10)16-13;;/h4*1-7,17H,(H,15,16);;/q;;;;2*+2/p-4
InChIKeyFFQKEHCEBRSBNE-UHFFFAOYSA-J
MW1270.36 g/mol
LogP12.26
Rot. Bonds4

About tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+))

tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+)) (PubChem CID 139087006) has the molecular formula C52H32Br4Co2N8O4 and a molecular weight of 1270.36 g/mol. Its IUPAC name is tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+)).

Molecular Properties

Compound Nametetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+))
PubChem CID139087006
Molecular FormulaC52H32Br4Co2N8O4
Molecular Weight1270.36 g/mol
Exact Mass1265.79
IUPAC Nametetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+))
SMILES[Co+2].[Co+2].[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/4C13H9BrN2O.2Co/c4*14-8-5-6-12(17)9(7-8)13-15-10-3-1-2-4-11(10)16-13;;/h4*1-7,17H,(H,15,16);;/q;;;;2*+2/p-4
InChIKeyFFQKEHCEBRSBNE-UHFFFAOYSA-J
XLogP12.26
TPSA206.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001270.36
LogP ≤ 512.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

dizinc;tetrakis(2-benzhydryl-6-(1H-benzimidazol-2-yl)-4-methylphenolate)
CID 139041399
Bis[2-(benzimidazol-2-yl)phenolato-kappa^2^N,O] cobalt(II)
CID 139068471
Bis[2-(1H-benzimidazol-2-yl-kappaN^3^)-4,6-dibromophenolato-kappaO]nickel(II)
CID 139072906
tris(2-(1H-benzimidazol-2-yl)phenolate);oxolane;scandium(3+)
CID 139132052
beryllium bis(2-(1H-benzimidazol-3-ium-2-yl)phenolate)
CID 168337838
Magnesium bis(2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate)
CID 140661109
Bis[2-(benzoimidazol-2-yl)phenolato-kappa^2^N,O]zinc(II) bis[5-amino-2-(benzoimidazol-2-yl)phenolato-kappa^2^N,O]zinc(II)ethanolwater (0.56/0.44/2/0.5)
CID 139068190

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+))?
The IUPAC name of tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+)) (CID 139087006) is tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+)).
What is the SMILES notation for tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+))?
The canonical SMILES for tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+)) is [Co+2].[Co+2].[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1.[O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+))?
The InChIKey is FFQKEHCEBRSBNE-UHFFFAOYSA-J. The full InChI is InChI=1S/4C13H9BrN2O.2Co/c4*14-8-5-6-12(17)9(7-8)13-15-10-3-1-2-4-11(10)16-13;;/h4*1-7,17H,(H,15,16);;/q;;;;2*+2/p-4.
What are the key properties of tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+))?
tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+)) has a molecular weight of 1270.36 g/mol, XLogP of 12.26, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-(1H-benzimidazol-2-yl)-4-bromophenolate);bis(cobalt(2+)) is sourced from PubChem (CID 139087006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).