dicopper;methanol;tetrakis(naphthalene-1-carboxylate)

C48H44Cu2O12 — CID 139203782

IUPACdicopper;methanol;tetrakis(naphthalene-1-carboxylate)
SMILESCO.CO.CO.CO.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.[Cu+2].[Cu+2]
InChIInChI=1S/4C11H8O2.4CH4O.2Cu/c4*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;4*1-2;;/h4*1-7H,(H,12,13);4*2H,1H3;;/q;;;;;;;;2*+2/p-4
InChIKeyMJUSAPJBSFKQRA-UHFFFAOYSA-J
MW939.96 g/mol
LogP3.24
Rot. Bonds4

About dicopper;methanol;tetrakis(naphthalene-1-carboxylate)

dicopper;methanol;tetrakis(naphthalene-1-carboxylate) (PubChem CID 139203782) has the molecular formula C48H44Cu2O12 and a molecular weight of 939.96 g/mol. Its IUPAC name is dicopper;methanol;tetrakis(naphthalene-1-carboxylate).

Molecular Properties

Compound Namedicopper;methanol;tetrakis(naphthalene-1-carboxylate)
PubChem CID139203782
Molecular FormulaC48H44Cu2O12
Molecular Weight939.96 g/mol
Exact Mass938.14
IUPAC Namedicopper;methanol;tetrakis(naphthalene-1-carboxylate)
SMILESCO.CO.CO.CO.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.[Cu+2].[Cu+2]
InChIInChI=1S/4C11H8O2.4CH4O.2Cu/c4*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;4*1-2;;/h4*1-7H,(H,12,13);4*2H,1H3;;/q;;;;;;;;2*+2/p-4
InChIKeyMJUSAPJBSFKQRA-UHFFFAOYSA-J
XLogP3.24
TPSA241.44 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.96
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of dicopper;methanol;tetrakis(naphthalene-1-carboxylate)?
The IUPAC name of dicopper;methanol;tetrakis(naphthalene-1-carboxylate) (CID 139203782) is dicopper;methanol;tetrakis(naphthalene-1-carboxylate).
What is the SMILES notation for dicopper;methanol;tetrakis(naphthalene-1-carboxylate)?
The canonical SMILES for dicopper;methanol;tetrakis(naphthalene-1-carboxylate) is CO.CO.CO.CO.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.O=C([O-])c1cccc2ccccc12.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;methanol;tetrakis(naphthalene-1-carboxylate)?
The InChIKey is MJUSAPJBSFKQRA-UHFFFAOYSA-J. The full InChI is InChI=1S/4C11H8O2.4CH4O.2Cu/c4*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;4*1-2;;/h4*1-7H,(H,12,13);4*2H,1H3;;/q;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;methanol;tetrakis(naphthalene-1-carboxylate)?
dicopper;methanol;tetrakis(naphthalene-1-carboxylate) has a molecular weight of 939.96 g/mol, XLogP of 3.24, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;methanol;tetrakis(naphthalene-1-carboxylate) is sourced from PubChem (CID 139203782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).