dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide)

C32H32Cu2N8O2S2 — CID 11093882

IUPACdicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide)
SMILESCS(C)=O.CS(C)=O.[Cu+2].[Cu+2].c1cnc2[n-]ccc2c1.c1cnc2[n-]ccc2c1.c1cnc2[n-]ccc2c1.c1cnc2[n-]ccc2c1
InChIInChI=1S/4C7H5N2.2C2H6OS.2Cu/c4*1-2-6-3-5-9-7(6)8-4-1;2*1-4(2)3;;/h4*1-5H;2*1-2H3;;/q4*-1;;;2*+2
InChIKeyAWJYCIACKHACCP-UHFFFAOYSA-N
MW751.89 g/mol
LogP4.75
Rot. Bonds

About dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide)

dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide) (PubChem CID 11093882) has the molecular formula C32H32Cu2N8O2S2 and a molecular weight of 751.89 g/mol. Its IUPAC name is dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide).

Molecular Properties

Compound Namedicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide)
PubChem CID11093882
Molecular FormulaC32H32Cu2N8O2S2
Molecular Weight751.89 g/mol
Exact Mass750.07
IUPAC Namedicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide)
SMILESCS(C)=O.CS(C)=O.[Cu+2].[Cu+2].c1cnc2[n-]ccc2c1.c1cnc2[n-]ccc2c1.c1cnc2[n-]ccc2c1.c1cnc2[n-]ccc2c1
InChIInChI=1S/4C7H5N2.2C2H6OS.2Cu/c4*1-2-6-3-5-9-7(6)8-4-1;2*1-4(2)3;;/h4*1-5H;2*1-2H3;;/q4*-1;;;2*+2
InChIKeyAWJYCIACKHACCP-UHFFFAOYSA-N
XLogP4.75
TPSA142.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500751.89
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide)?
The IUPAC name of dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide) (CID 11093882) is dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide).
What is the SMILES notation for dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide)?
The canonical SMILES for dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide) is CS(C)=O.CS(C)=O.[Cu+2].[Cu+2].c1cnc2[n-]ccc2c1.c1cnc2[n-]ccc2c1.c1cnc2[n-]ccc2c1.c1cnc2[n-]ccc2c1.
What is the InChIKey of dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide)?
The InChIKey is AWJYCIACKHACCP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H5N2.2C2H6OS.2Cu/c4*1-2-6-3-5-9-7(6)8-4-1;2*1-4(2)3;;/h4*1-5H;2*1-2H3;;/q4*-1;;;2*+2.
What are the key properties of dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide)?
dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide) has a molecular weight of 751.89 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;methylsulfinylmethane;tetrakis(pyrrolo[2,3-b]pyridin-1-ide) is sourced from PubChem (CID 11093882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).