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

C24H15Cu3F18N6 — CID 139177052

IUPACtris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.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+]
InChIInChI=1S/C9H12.3C5HF6N2.3Cu/c1-7-4-8(2)6-9(3)5-7;3*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;/h4-6H,1-3H3;3*1H;;;/q;3*-1;3*+1
InChIKeyUJLALUXYRZVGIJ-UHFFFAOYSA-N
MW920.03 g/mol
LogP8.83
Rot. Bonds

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

tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene (PubChem CID 139177052) has the molecular formula C24H15Cu3F18N6 and a molecular weight of 920.03 g/mol. Its IUPAC name is tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene.

Molecular Properties

Compound Nametris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene
PubChem CID139177052
Molecular FormulaC24H15Cu3F18N6
Molecular Weight920.03 g/mol
Exact Mass917.90
IUPAC Nametris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.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+]
InChIInChI=1S/C9H12.3C5HF6N2.3Cu/c1-7-4-8(2)6-9(3)5-7;3*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;/h4-6H,1-3H3;3*1H;;;/q;3*-1;3*+1
InChIKeyUJLALUXYRZVGIJ-UHFFFAOYSA-N
XLogP8.83
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.03
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide
CID 15421219
Silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide
CID 134901373
[3-(CF3),5-(Ph)PzCu]3
CID 139118754
{[3-CF3,5-tBuPz]Ag}3-tol
CID 139129026
{[3,5-(CF3)2Pz]Au}3-0.5Toluene
CID 139129874
Tris(3,5-bis[3,5-bis(trifluoromethyl)phenyl]pyrazol-1-ide);tris(gold(1+))
CID 168349906
Bis[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;copper(1+);cyclooctene;toluene
CID 139152556

Frequently Asked Questions

What is the IUPAC name of tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene?
The IUPAC name of tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene (CID 139177052) is tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene.
What is the SMILES notation for tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene?
The canonical SMILES for tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.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+].
What is the InChIKey of tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene?
The InChIKey is UJLALUXYRZVGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C5HF6N2.3Cu/c1-7-4-8(2)6-9(3)5-7;3*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;/h4-6H,1-3H3;3*1H;;;/q;3*-1;3*+1.
What are the key properties of tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene?
tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene has a molecular weight of 920.03 g/mol, XLogP of 8.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene is sourced from PubChem (CID 139177052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).