copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate

C23H27CuF6N4O2P — CID 139055503

IUPACcopper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate
SMILESCC(=O)[O-].F[P-](F)(F)(F)(F)F.[Cu+2].c1ccc(CCN(CCc2ccccn2)CCc2ccccn2)nc1
InChIInChI=1S/C21H24N4.C2H4O2.Cu.F6P/c1-4-13-22-19(7-1)10-16-25(17-11-20-8-2-5-14-23-20)18-12-21-9-3-6-15-24-21;1-2(3)4;;1-7(2,3,4,5)6/h1-9,13-15H,10-12,16-18H2;1H3,(H,3,4);;/q;;+2;-1/p-1
InChIKeyYPDXPQJRZWUDNJ-UHFFFAOYSA-M
MW600.00 g/mol
LogP5.34
Rot. Bonds9

About copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate

copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate (PubChem CID 139055503) has the molecular formula C23H27CuF6N4O2P and a molecular weight of 600.00 g/mol. Its IUPAC name is copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate.

Molecular Properties

Compound Namecopper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate
PubChem CID139055503
Molecular FormulaC23H27CuF6N4O2P
Molecular Weight600.00 g/mol
Exact Mass599.11
IUPAC Namecopper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate
SMILESCC(=O)[O-].F[P-](F)(F)(F)(F)F.[Cu+2].c1ccc(CCN(CCc2ccccn2)CCc2ccccn2)nc1
InChIInChI=1S/C21H24N4.C2H4O2.Cu.F6P/c1-4-13-22-19(7-1)10-16-25(17-11-20-8-2-5-14-23-20)18-12-21-9-3-6-15-24-21;1-2(3)4;;1-7(2,3,4,5)6/h1-9,13-15H,10-12,16-18H2;1H3,(H,3,4);;/q;;+2;-1/p-1
InChIKeyYPDXPQJRZWUDNJ-UHFFFAOYSA-M
XLogP5.34
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.00
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate?
The IUPAC name of copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate (CID 139055503) is copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate.
What is the SMILES notation for copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate?
The canonical SMILES for copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate is CC(=O)[O-].F[P-](F)(F)(F)(F)F.[Cu+2].c1ccc(CCN(CCc2ccccn2)CCc2ccccn2)nc1.
What is the InChIKey of copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate?
The InChIKey is YPDXPQJRZWUDNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H24N4.C2H4O2.Cu.F6P/c1-4-13-22-19(7-1)10-16-25(17-11-20-8-2-5-14-23-20)18-12-21-9-3-6-15-24-21;1-2(3)4;;1-7(2,3,4,5)6/h1-9,13-15H,10-12,16-18H2;1H3,(H,3,4);;/q;;+2;-1/p-1.
What are the key properties of copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate?
copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate has a molecular weight of 600.00 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;acetate;hexafluorophosphate is sourced from PubChem (CID 139055503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).