silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide

C22H12AgBF18N6 — CID 15421219

IUPACsilver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide
SMILESCc1ccccc1.FC(F)(F)c1cc(C(F)(F)F)n([BH-](n2nc(C(F)(F)F)cc2C(F)(F)F)n2nc(C(F)(F)F)cc2C(F)(F)F)n1.[Ag+]
InChIInChI=1S/C15H4BF18N6.C7H8.Ag/c17-10(18,19)4-1-7(13(26,27)28)38(35-4)16(39-8(14(29,30)31)2-5(36-39)11(20,21)22)40-9(15(32,33)34)3-6(37-40)12(23,24)25;1-7-5-3-2-4-6-7;/h1-3,16H;2-6H,1H3;/q-1;;+1
InChIKeyOKNMXZVPXRPCLS-UHFFFAOYSA-N
MW821.02 g/mol
LogP8.04
Rot. Bonds3

About silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide

silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide (PubChem CID 15421219) has the molecular formula C22H12AgBF18N6 and a molecular weight of 821.02 g/mol. Its IUPAC name is silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide.

Molecular Properties

Compound Namesilver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide
PubChem CID15421219
Molecular FormulaC22H12AgBF18N6
Molecular Weight821.02 g/mol
Exact Mass820.00
IUPAC Namesilver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide
SMILESCc1ccccc1.FC(F)(F)c1cc(C(F)(F)F)n([BH-](n2nc(C(F)(F)F)cc2C(F)(F)F)n2nc(C(F)(F)F)cc2C(F)(F)F)n1.[Ag+]
InChIInChI=1S/C15H4BF18N6.C7H8.Ag/c17-10(18,19)4-1-7(13(26,27)28)38(35-4)16(39-8(14(29,30)31)2-5(36-39)11(20,21)22)40-9(15(32,33)34)3-6(37-40)12(23,24)25;1-7-5-3-2-4-6-7;/h1-3,16H;2-6H,1H3;/q-1;;+1
InChIKeyOKNMXZVPXRPCLS-UHFFFAOYSA-N
XLogP8.04
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.02
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
Silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide
CID 139135163
Tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene
CID 139177052
Bicyclo[2.2.1]hepta-2,5-diene;rhodium;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide
CID 168345724
Silver;ethene;phenyl-tris[3-(trifluoromethyl)pyrazol-1-yl]boranuide
CID 176066564
Tris(3-benzyl-5-methylpyrazol-1-yl)borane
CID 91116062
CID 11072757
CID 11072757
Tris[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]borane
CID 101337505
CID 136675329
CID 136675329
Bis[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;copper(1+);cyclooctene;toluene
CID 139152556

Frequently Asked Questions

What is the IUPAC name of silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide?
The IUPAC name of silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide (CID 15421219) is silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide.
What is the SMILES notation for silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide?
The canonical SMILES for silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide is Cc1ccccc1.FC(F)(F)c1cc(C(F)(F)F)n([BH-](n2nc(C(F)(F)F)cc2C(F)(F)F)n2nc(C(F)(F)F)cc2C(F)(F)F)n1.[Ag+].
What is the InChIKey of silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide?
The InChIKey is OKNMXZVPXRPCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H4BF18N6.C7H8.Ag/c17-10(18,19)4-1-7(13(26,27)28)38(35-4)16(39-8(14(29,30)31)2-5(36-39)11(20,21)22)40-9(15(32,33)34)3-6(37-40)12(23,24)25;1-7-5-3-2-4-6-7;/h1-3,16H;2-6H,1H3;/q-1;;+1.
What are the key properties of silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide?
silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide has a molecular weight of 821.02 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide is sourced from PubChem (CID 15421219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).