benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+))

C72H24Cu12F72N24 — CID 139177051

IUPACbenzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+))
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.12C5HF6N2.12Cu/c2*1-2-4-6-5-3-1;12*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;/h2*1-6H;12*1H;;;;;;;;;;;;/q;;12*-1;12*+1
InChIKeyLATJEOMJONFFIE-UHFFFAOYSA-N
MW3355.56 g/mol
LogP28.26
Rot. Bonds

About benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+))

benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+)) (PubChem CID 139177051) has the molecular formula C72H24Cu12F72N24 and a molecular weight of 3355.56 g/mol. Its IUPAC name is benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+)).

Molecular Properties

Compound Namebenzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+))
PubChem CID139177051
Molecular FormulaC72H24Cu12F72N24
Molecular Weight3355.56 g/mol
Exact Mass3347.30
IUPAC Namebenzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+))
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.12C5HF6N2.12Cu/c2*1-2-4-6-5-3-1;12*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;/h2*1-6H;12*1H;;;;;;;;;;;;/q;;12*-1;12*+1
InChIKeyLATJEOMJONFFIE-UHFFFAOYSA-N
XLogP28.26
TPSA323.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003355.56
LogP ≤ 528.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

{[3,5-(CF3)2Pz]Au}3-0.5Toluene
CID 139129874
Hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene
CID 139177053
CID 138975029
CID 138975029
CID 138975414
CID 138975414
{[3,5-(CF3)2Pz]Ag}3-0.5tol
CID 139129023
CID 139149638
CID 139149638

Frequently Asked Questions

What is the IUPAC name of benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+))?
The IUPAC name of benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+)) (CID 139177051) is benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+)).
What is the SMILES notation for benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+))?
The canonical SMILES for benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+)) is FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+))?
The InChIKey is LATJEOMJONFFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.12C5HF6N2.12Cu/c2*1-2-4-6-5-3-1;12*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;/h2*1-6H;12*1H;;;;;;;;;;;;/q;;12*-1;12*+1.
What are the key properties of benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+))?
benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+)) has a molecular weight of 3355.56 g/mol, XLogP of 28.26, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+)) is sourced from PubChem (CID 139177051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).