benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+))

C66H42Co2N16O8 — CID 139195075

IUPACbenzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+))
SMILESO=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])cc1C(=O)[O-].[Co+2].[Co+2].c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/4C14H10N4.C10H6O8.2Co/c4*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;/h4*1-8H,(H,15,16)(H,17,18);1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;/q;;;;;2*+2/p-4
InChIKeyVOKRJPMGEYQZDC-UHFFFAOYSA-J
MW1305.03 g/mol
LogP7.56
Rot. Bonds8

About benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+))

benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+)) (PubChem CID 139195075) has the molecular formula C66H42Co2N16O8 and a molecular weight of 1305.03 g/mol. Its IUPAC name is benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+)).

Molecular Properties

Compound Namebenzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+))
PubChem CID139195075
Molecular FormulaC66H42Co2N16O8
Molecular Weight1305.03 g/mol
Exact Mass1304.20
IUPAC Namebenzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+))
SMILESO=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])cc1C(=O)[O-].[Co+2].[Co+2].c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/4C14H10N4.C10H6O8.2Co/c4*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;/h4*1-8H,(H,15,16)(H,17,18);1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;/q;;;;;2*+2/p-4
InChIKeyVOKRJPMGEYQZDC-UHFFFAOYSA-J
XLogP7.56
TPSA389.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001305.03
LogP ≤ 57.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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Related Compounds

2-(2-amino-5-methylphenyl)-5-[2-[2-(2-amino-5-methylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-[3-carboxy-4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)benzoic acid;4-(3,4-diaminophenyl)benzene-1,2-diamine;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]propan-2-yl]phenyl]-6-methyl-1H-benzimidazole;2-[1,1,1,3,3,3-hexafluoro-2-(8-methyl-11-oxoisoindolo[2,1-a]benzimidazol-2-yl)propan-2-yl]-8-methylisoindolo[2,3-a]benzimidazol-11-one
CID 162042872
2,6-Bis(benzimidazol-2-yl)pyridine-terephthalic acid-water (2/1/4)
CID 139060997
Bis[mu-2-(1H-benzoimidazol-2-yl)benzoato-kappa^2^N:O]bis{[2-(1H-benzoimidazol-2-yl)benzoato-kappa^2^N,O]zinc(II)}
CID 139070727
2-[1-(1H-Benzimidazol-2-yl)propyl]-1H-benzimidazol-3-ium 3,5-dicarboxybenzoate-benzene-1,3,5-tricarboxylic acid-water (1/1/1)
CID 139079863
2-Methyl-1H-benzimidazol-3-ium 2-carboxybenzoate
CID 139082098
bis(1-(1H-benzimidazol-3-ium-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);4,6-dicarboxybenzene-1,3-dicarboxylate;bis(N,N-dimethylformamide);hydrate
CID 139144715
bis(1-(1H-benzimidazol-3-ium-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);bis(N,N-dimethylformamide);terephthalate
CID 139144716
benzene-1,3-dicarboxylate;bis(1-(1H-benzimidazol-3-ium-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);bis(N,N-dimethylformamide)
CID 139144717
benzene-1,2,4,5-tetracarboxylic acid;4,6-dicarboxybenzene-1,3-dicarboxylate;bis(1-methyl-2-[5-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-pyridinyl]benzimidazole);pyrene;dihydrate
CID 139147801
benzene-1,3-dicarboxylate;bis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);cobalt(2+);hydrate
CID 139195074
bis[2'2-(1,2-ethanediyl)bis(1H-benzimidazole)]-dicadmium(II) di(2-benzoate-acetate)
CID 139207365
2,2'-(1,2-ethanediyl)bis(1H-benzimidazole) benzene-1,3,5-tricarboxylic acid, C~34~H~26~N~4~O~12~
CID 139207366

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+))?
The IUPAC name of benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+)) (CID 139195075) is benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+)).
What is the SMILES notation for benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+))?
The canonical SMILES for benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+)) is O=C([O-])c1cc(C(=O)[O-])c(C(=O)[O-])cc1C(=O)[O-].[Co+2].[Co+2].c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1.
What is the InChIKey of benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+))?
The InChIKey is VOKRJPMGEYQZDC-UHFFFAOYSA-J. The full InChI is InChI=1S/4C14H10N4.C10H6O8.2Co/c4*1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;/h4*1-8H,(H,15,16)(H,17,18);1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;/q;;;;;2*+2/p-4.
What are the key properties of benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+))?
benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+)) has a molecular weight of 1305.03 g/mol, XLogP of 7.56, 8 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,4,5-tetracarboxylate;tetrakis(2-(1H-benzimidazol-2-yl)-1H-benzimidazole);bis(cobalt(2+)) is sourced from PubChem (CID 139195075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).