dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)

C80H80Cu2O16S4 — CID 139066806

IUPACdicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)
SMILESCS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O.O=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Cu+2].[Cu+2]
InChIInChI=1S/6C12H10O2.4C2H6OS.2Cu/c6*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;4*1-4(2)3;;/h6*1-7H,8H2,(H,13,14);4*1-2H3;;/q;;;;;;;;;;2*+2/p-4
InChIKeyFPDZBGWQAXRKCN-UHFFFAOYSA-J
MW1552.86 g/mol
LogP9.44
Rot. Bonds12

About dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)

dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid) (PubChem CID 139066806) has the molecular formula C80H80Cu2O16S4 and a molecular weight of 1552.86 g/mol. Its IUPAC name is dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid).

Molecular Properties

Compound Namedicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)
PubChem CID139066806
Molecular FormulaC80H80Cu2O16S4
Molecular Weight1552.86 g/mol
Exact Mass1550.29
IUPAC Namedicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)
SMILESCS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O.O=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Cu+2].[Cu+2]
InChIInChI=1S/6C12H10O2.4C2H6OS.2Cu/c6*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;4*1-4(2)3;;/h6*1-7H,8H2,(H,13,14);4*1-2H3;;/q;;;;;;;;;;2*+2/p-4
InChIKeyFPDZBGWQAXRKCN-UHFFFAOYSA-J
XLogP9.44
TPSA303.40 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001552.86
LogP ≤ 59.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
hexakis(2-naphthalen-1-ylacetate);hexakis(oxygen(2-));hexakis(propan-2-olate);hexakis(titanium(4+))
CID 139170861
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
dibutyltin(2+);bis(2-naphthalen-1-ylacetate)
CID 175280639
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride
CID 175051749
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
1-naphthalen-1-ylbutan-2-one
CID 4564544
1H-indole;2-naphthalen-1-ylacetic acid
CID 164968711
5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid
CID 175124384

Frequently Asked Questions

What is the IUPAC name of dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)?
The IUPAC name of dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid) (CID 139066806) is dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid).
What is the SMILES notation for dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)?
The canonical SMILES for dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid) is CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O.O=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)?
The InChIKey is FPDZBGWQAXRKCN-UHFFFAOYSA-J. The full InChI is InChI=1S/6C12H10O2.4C2H6OS.2Cu/c6*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;4*1-4(2)3;;/h6*1-7H,8H2,(H,13,14);4*1-2H3;;/q;;;;;;;;;;2*+2/p-4.
What are the key properties of dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)?
dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid) has a molecular weight of 1552.86 g/mol, XLogP of 9.44, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid) is sourced from PubChem (CID 139066806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).