hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide)

C48H60Ag6F18N12 — CID 139129024

IUPAChexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide)
SMILESCC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+]
InChIInChI=1S/6C8H10F3N2.6Ag/c6*1-7(2,3)5-4-6(13-12-5)8(9,10)11;;;;;;/h6*4H,1-3H3;;;;;;/q6*-1;6*+1
InChIKeyCYHCYPNMECUGQC-UHFFFAOYSA-N
MW1794.26 g/mol
LogP14.12
Rot. Bonds

About hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide)

hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide) (PubChem CID 139129024) has the molecular formula C48H60Ag6F18N12 and a molecular weight of 1794.26 g/mol. Its IUPAC name is hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide).

Molecular Properties

Compound Namehexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide)
PubChem CID139129024
Molecular FormulaC48H60Ag6F18N12
Molecular Weight1794.26 g/mol
Exact Mass1787.91
IUPAC Namehexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide)
SMILESCC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+]
InChIInChI=1S/6C8H10F3N2.6Ag/c6*1-7(2,3)5-4-6(13-12-5)8(9,10)11;;;;;;/h6*4H,1-3H3;;;;;;/q6*-1;6*+1
InChIKeyCYHCYPNMECUGQC-UHFFFAOYSA-N
XLogP14.12
TPSA161.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001794.26
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide)?
The IUPAC name of hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide) (CID 139129024) is hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide).
What is the SMILES notation for hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide)?
The canonical SMILES for hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide) is CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.CC(C)(C)c1cc(C(F)(F)F)[n-]n1.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].
What is the InChIKey of hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide)?
The InChIKey is CYHCYPNMECUGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/6C8H10F3N2.6Ag/c6*1-7(2,3)5-4-6(13-12-5)8(9,10)11;;;;;;/h6*4H,1-3H3;;;;;;/q6*-1;6*+1.
What are the key properties of hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide)?
hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide) has a molecular weight of 1794.26 g/mol, XLogP of 14.12, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexasilver;hexakis(3-tert-butyl-5-(trifluoromethyl)pyrazol-1-ide) is sourced from PubChem (CID 139129024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).