dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate)

C34H62Cu2N10O8 — CID 139197156

IUPACdicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate)
SMILESCC(C)(CN)CN.CC(C)(CN)CN.CC(C)(CN)CN.CC(C)(CN)CN.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2C7H5NO4.4C5H14N2.2Cu/c2*9-6(10)4-2-1-3-8-5(4)7(11)12;4*1-5(2,3-6)4-7;;/h2*1-3H,(H,9,10)(H,11,12);4*3-4,6-7H2,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyIGTPHSBIELFREG-UHFFFAOYSA-J
MW866.02 g/mol
LogP-4.67
Rot. Bonds12

About dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate)

dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate) (PubChem CID 139197156) has the molecular formula C34H62Cu2N10O8 and a molecular weight of 866.02 g/mol. Its IUPAC name is dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate).

Molecular Properties

Compound Namedicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate)
PubChem CID139197156
Molecular FormulaC34H62Cu2N10O8
Molecular Weight866.02 g/mol
Exact Mass864.33
IUPAC Namedicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate)
SMILESCC(C)(CN)CN.CC(C)(CN)CN.CC(C)(CN)CN.CC(C)(CN)CN.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2C7H5NO4.4C5H14N2.2Cu/c2*9-6(10)4-2-1-3-8-5(4)7(11)12;4*1-5(2,3-6)4-7;;/h2*1-3H,(H,9,10)(H,11,12);4*3-4,6-7H2,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyIGTPHSBIELFREG-UHFFFAOYSA-J
XLogP-4.67
TPSA394.46 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500866.02
LogP ≤ 5-4.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

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Related Compounds

Gallium(III) pyridinedicarboxylate
CID 155667927
Propane-1,3-diaminium pyridine-2,3-dicarboxylate monohydrate
CID 129729022
Piperazinediium pyridine-2,3-dicarboxylate
CID 129729317
Bis-aminoguanidinium pyridinedicarboxylate
CID 129831308
Piperazinediium bis(2-carboxypyridine-3-carboxylate)
CID 139074095
4,4'-Bipyridinium bis(2-carboxypyridine-3-carboxylate)
CID 139075897
Piperazine-1,4-diium pyridine-2,3-dicarboxylate methanol monosolvate
CID 139081085
Diaquabis(pyridine-2,3-dicarboxylato)copper(II)
CID 168308966
5-[(4-Methylpyridin-1-ium-1-yl)methyl]pyridine-2,3-dicarboxylic acid
CID 19431051
Bis(iron(3+));tris(pyridine-2,3-dicarboxylate)
CID 19436727
CID 23197009
CID 23197009
Bis(pyridine-2,3-dicarboxylic acid);dihydrochloride
CID 66831312

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate)?
The IUPAC name of dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate) (CID 139197156) is dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate).
What is the SMILES notation for dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate)?
The canonical SMILES for dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate) is CC(C)(CN)CN.CC(C)(CN)CN.CC(C)(CN)CN.CC(C)(CN)CN.O=C([O-])c1cccnc1C(=O)[O-].O=C([O-])c1cccnc1C(=O)[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate)?
The InChIKey is IGTPHSBIELFREG-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H5NO4.4C5H14N2.2Cu/c2*9-6(10)4-2-1-3-8-5(4)7(11)12;4*1-5(2,3-6)4-7;;/h2*1-3H,(H,9,10)(H,11,12);4*3-4,6-7H2,1-2H3;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate)?
dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate) has a molecular weight of 866.02 g/mol, XLogP of -4.67, 12 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(2,2-dimethylpropane-1,3-diamine);bis(pyridine-2,3-dicarboxylate) is sourced from PubChem (CID 139197156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).