dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine)

C42H30Cl4Cu2N2O8 — CID 139075336

IUPACdicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine)
SMILESC=Cc1ccncc1.C=Cc1ccncc1.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5ClO2.2C7H7N.2Cu/c4*8-6-4-2-1-3-5(6)7(9)10;2*1-2-7-3-5-8-6-4-7;;/h4*1-4H,(H,9,10);2*2-6H,1H2;;/q;;;;;;2*+2/p-4
InChIKeyVHUIBKADSXBIFG-UHFFFAOYSA-J
MW959.61 g/mol
LogP6.26
Rot. Bonds6

About dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine)

dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine) (PubChem CID 139075336) has the molecular formula C42H30Cl4Cu2N2O8 and a molecular weight of 959.61 g/mol. Its IUPAC name is dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine).

Molecular Properties

Compound Namedicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine)
PubChem CID139075336
Molecular FormulaC42H30Cl4Cu2N2O8
Molecular Weight959.61 g/mol
Exact Mass955.93
IUPAC Namedicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine)
SMILESC=Cc1ccncc1.C=Cc1ccncc1.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5ClO2.2C7H7N.2Cu/c4*8-6-4-2-1-3-5(6)7(9)10;2*1-2-7-3-5-8-6-4-7;;/h4*1-4H,(H,9,10);2*2-6H,1H2;;/q;;;;;;2*+2/p-4
InChIKeyVHUIBKADSXBIFG-UHFFFAOYSA-J
XLogP6.26
TPSA186.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.61
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine)?
The IUPAC name of dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine) (CID 139075336) is dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine).
What is the SMILES notation for dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine)?
The canonical SMILES for dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine) is C=Cc1ccncc1.C=Cc1ccncc1.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.O=C([O-])c1ccccc1Cl.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine)?
The InChIKey is VHUIBKADSXBIFG-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5ClO2.2C7H7N.2Cu/c4*8-6-4-2-1-3-5(6)7(9)10;2*1-2-7-3-5-8-6-4-7;;/h4*1-4H,(H,9,10);2*2-6H,1H2;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine)?
dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine) has a molecular weight of 959.61 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(2-chlorobenzoate);bis(4-ethenylpyridine) is sourced from PubChem (CID 139075336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).