bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate)

C46H48Co2N4O8 — CID 139085971

IUPACbis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate)
SMILESCN(C)c1ccncc1.CN(C)c1ccncc1.O=C([O-])Cc1ccccc1.O=C([O-])Cc1ccccc1.O=C([O-])Cc1ccccc1.O=C([O-])Cc1ccccc1.[Co+2].[Co+2]
InChIInChI=1S/4C8H8O2.2C7H10N2.2Co/c4*9-8(10)6-7-4-2-1-3-5-7;2*1-9(2)7-3-5-8-6-4-7;;/h4*1-5H,6H2,(H,9,10);2*3-6H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyLNSUNBOLFJVMIE-UHFFFAOYSA-J
MW902.78 g/mol
LogP2.21
Rot. Bonds10

About bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate)

bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate) (PubChem CID 139085971) has the molecular formula C46H48Co2N4O8 and a molecular weight of 902.78 g/mol. Its IUPAC name is bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate).

Molecular Properties

Compound Namebis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate)
PubChem CID139085971
Molecular FormulaC46H48Co2N4O8
Molecular Weight902.78 g/mol
Exact Mass902.21
IUPAC Namebis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate)
SMILESCN(C)c1ccncc1.CN(C)c1ccncc1.O=C([O-])Cc1ccccc1.O=C([O-])Cc1ccccc1.O=C([O-])Cc1ccccc1.O=C([O-])Cc1ccccc1.[Co+2].[Co+2]
InChIInChI=1S/4C8H8O2.2C7H10N2.2Co/c4*9-8(10)6-7-4-2-1-3-5-7;2*1-9(2)7-3-5-8-6-4-7;;/h4*1-5H,6H2,(H,9,10);2*3-6H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyLNSUNBOLFJVMIE-UHFFFAOYSA-J
XLogP2.21
TPSA192.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.78
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate)?
The IUPAC name of bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate) (CID 139085971) is bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate).
What is the SMILES notation for bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate)?
The canonical SMILES for bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate) is CN(C)c1ccncc1.CN(C)c1ccncc1.O=C([O-])Cc1ccccc1.O=C([O-])Cc1ccccc1.O=C([O-])Cc1ccccc1.O=C([O-])Cc1ccccc1.[Co+2].[Co+2].
What is the InChIKey of bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate)?
The InChIKey is LNSUNBOLFJVMIE-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H8O2.2C7H10N2.2Co/c4*9-8(10)6-7-4-2-1-3-5-7;2*1-9(2)7-3-5-8-6-4-7;;/h4*1-5H,6H2,(H,9,10);2*3-6H,1-2H3;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate)?
bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate) has a molecular weight of 902.78 g/mol, XLogP of 2.21, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(2+));bis(N,N-dimethylpyridin-4-amine);tetrakis(2-phenylacetate) is sourced from PubChem (CID 139085971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).