dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate)

C36H38Cu2N6O6 — CID 139173113

IUPACdicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate)
SMILESOCc1ccccn1.OCc1ccccn1.[Cu+2].[Cu+2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1
InChIInChI=1S/2C6H7NO.4C6H6NO.2Cu/c6*8-5-6-3-1-2-4-7-6;;/h2*1-4,8H,5H2;4*1-4H,5H2;;/q;;4*-1;2*+2
InChIKeyVXIORGMFGIVYPT-UHFFFAOYSA-N
MW777.83 g/mol
LogP0.91
Rot. Bonds6

About dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate)

dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate) (PubChem CID 139173113) has the molecular formula C36H38Cu2N6O6 and a molecular weight of 777.83 g/mol. Its IUPAC name is dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate).

Molecular Properties

Compound Namedicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate)
PubChem CID139173113
Molecular FormulaC36H38Cu2N6O6
Molecular Weight777.83 g/mol
Exact Mass776.14
IUPAC Namedicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate)
SMILESOCc1ccccn1.OCc1ccccn1.[Cu+2].[Cu+2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1
InChIInChI=1S/2C6H7NO.4C6H6NO.2Cu/c6*8-5-6-3-1-2-4-7-6;;/h2*1-4,8H,5H2;4*1-4H,5H2;;/q;;4*-1;2*+2
InChIKeyVXIORGMFGIVYPT-UHFFFAOYSA-N
XLogP0.91
TPSA210.04 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.83
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

Bis(di-2-pyridyl-1-hydroxymethoxy)cobalt(III) Perchlorate Trihydrate
CID 139055892
bis(di-2-pyridylmethanediol-N,N')iron(III) nitrate dihydrate
CID 139065552
Bis(mu~2~-hydroxydi-2-pyridylmethanolato-kappa^4^N,O:O,N')bis[(pyridine-kappaN)copper(II)] bis(perchlorate)
CID 139071977
Bis(di-2-pyridylmethanediol-kappa^3^N,O,N')nickel(II) dinitrate
CID 139076627
(5) Ti(Opy)2(Obut)2
CID 139128835
(22) Ti(OPy)2(DMBS)2
CID 139128847
Hexakis(dichloromethane);tetrakis(nickel(2+));octakis(pyridin-2-ylmethanol);octachloride
CID 139150637
Dichloromethane;nickel(2+);tris(pyridin-2-ylmethanol);dichloride
CID 139150639
Methanol;bis(methoxy(dipyridin-2-yl)methanol);bis(oxygen(2-));bis(vanadium(4+));disulfate
CID 139158823
Octacopper;octakis(pyridin-2-ylmethanolate);hexaacetate;diperchlorate
CID 139159160
bis(2-N,6-N-bis(pyridin-2-ylmethyl)pyridine-2,6-dicarboximidate);bis(mercury(2+));pentahydrate
CID 139165368
Cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate
CID 139173523

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate)?
The IUPAC name of dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate) (CID 139173113) is dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate).
What is the SMILES notation for dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate)?
The canonical SMILES for dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate) is OCc1ccccn1.OCc1ccccn1.[Cu+2].[Cu+2].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.
What is the InChIKey of dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate)?
The InChIKey is VXIORGMFGIVYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7NO.4C6H6NO.2Cu/c6*8-5-6-3-1-2-4-7-6;;/h2*1-4,8H,5H2;4*1-4H,5H2;;/q;;4*-1;2*+2.
What are the key properties of dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate)?
dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate) has a molecular weight of 777.83 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate) is sourced from PubChem (CID 139173113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).