tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide

C30H18Cu3F9N6 — CID 139118754

IUPACtris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide
SMILESFC(F)(F)c1cc(-c2ccccc2)[n-]n1.FC(F)(F)c1cc(-c2ccccc2)n[n-]1.FC(F)(F)c1cc(-c2ccccc2)n[n-]1.[Cu+].[Cu+].[Cu+]
InChIInChI=1S/3C10H6F3N2.3Cu/c3*11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7;;;/h3*1-6H;;;/q3*-1;3*+1
InChIKeyXUQFJTJKSXOCHM-UHFFFAOYSA-N
MW824.14 g/mol
LogP8.17
Rot. Bonds3

About tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide

tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide (PubChem CID 139118754) has the molecular formula C30H18Cu3F9N6 and a molecular weight of 824.14 g/mol. Its IUPAC name is tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide.

Molecular Properties

Compound Nametris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide
PubChem CID139118754
Molecular FormulaC30H18Cu3F9N6
Molecular Weight824.14 g/mol
Exact Mass821.93
IUPAC Nametris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide
SMILESFC(F)(F)c1cc(-c2ccccc2)[n-]n1.FC(F)(F)c1cc(-c2ccccc2)n[n-]1.FC(F)(F)c1cc(-c2ccccc2)n[n-]1.[Cu+].[Cu+].[Cu+]
InChIInChI=1S/3C10H6F3N2.3Cu/c3*11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7;;;/h3*1-6H;;;/q3*-1;3*+1
InChIKeyXUQFJTJKSXOCHM-UHFFFAOYSA-N
XLogP8.17
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.14
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide?
The IUPAC name of tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide (CID 139118754) is tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide.
What is the SMILES notation for tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide?
The canonical SMILES for tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide is FC(F)(F)c1cc(-c2ccccc2)[n-]n1.FC(F)(F)c1cc(-c2ccccc2)n[n-]1.FC(F)(F)c1cc(-c2ccccc2)n[n-]1.[Cu+].[Cu+].[Cu+].
What is the InChIKey of tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide?
The InChIKey is XUQFJTJKSXOCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H6F3N2.3Cu/c3*11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7;;;/h3*1-6H;;;/q3*-1;3*+1.
What are the key properties of tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide?
tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide has a molecular weight of 824.14 g/mol, XLogP of 8.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(copper(1+));bis(3-phenyl-5-(trifluoromethyl)pyrazol-1-ide);5-phenyl-3-(trifluoromethyl)pyrazol-1-ide is sourced from PubChem (CID 139118754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).