dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate)

C66H48Cu2N4O10 — CID 139084698

IUPACdicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate)
SMILESCO.CO.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Cu+2].[Cu+2]
InChIInChI=1S/4C16H11NO2.2CH4O.2Cu/c4*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;2*1-2;;/h4*1-10H,(H,18,19);2*2H,1H3;;/q;;;;;;2*+2/p-4
InChIKeyJUBORAKTAJRKTA-UHFFFAOYSA-J
MW1184.22 g/mol
LogP8.27
Rot. Bonds8

About dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate)

dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate) (PubChem CID 139084698) has the molecular formula C66H48Cu2N4O10 and a molecular weight of 1184.22 g/mol. Its IUPAC name is dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate).

Molecular Properties

Compound Namedicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate)
PubChem CID139084698
Molecular FormulaC66H48Cu2N4O10
Molecular Weight1184.22 g/mol
Exact Mass1182.20
IUPAC Namedicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate)
SMILESCO.CO.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Cu+2].[Cu+2]
InChIInChI=1S/4C16H11NO2.2CH4O.2Cu/c4*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;2*1-2;;/h4*1-10H,(H,18,19);2*2H,1H3;;/q;;;;;;2*+2/p-4
InChIKeyJUBORAKTAJRKTA-UHFFFAOYSA-J
XLogP8.27
TPSA252.54 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001184.22
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate)?
The IUPAC name of dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate) (CID 139084698) is dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate).
What is the SMILES notation for dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate)?
The canonical SMILES for dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate) is CO.CO.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate)?
The InChIKey is JUBORAKTAJRKTA-UHFFFAOYSA-J. The full InChI is InChI=1S/4C16H11NO2.2CH4O.2Cu/c4*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;2*1-2;;/h4*1-10H,(H,18,19);2*2H,1H3;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate)?
dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate) has a molecular weight of 1184.22 g/mol, XLogP of 8.27, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;methanol;tetrakis(2-phenylquinoline-4-carboxylate) is sourced from PubChem (CID 139084698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).