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

C44H24Ag2B2F36N12 — CID 139135161

IUPACdisilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide)
SMILESCc1ccccc1.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.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+].[Ag+]
InChIInChI=1S/2C15H4BF18N6.2C7H8.2Ag/c2*17-10(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;2*1-7-5-3-2-4-6-7;;/h2*1-3,16H;2*2-6H,1H3;;/q2*-1;;;2*+1
InChIKeyHADBLHBTXFWLEX-UHFFFAOYSA-N
MW1642.05 g/mol
LogP16.09
Rot. Bonds6

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

disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide) (PubChem CID 139135161) has the molecular formula C44H24Ag2B2F36N12 and a molecular weight of 1642.05 g/mol. Its IUPAC name is disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide).

Molecular Properties

Compound Namedisilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide)
PubChem CID139135161
Molecular FormulaC44H24Ag2B2F36N12
Molecular Weight1642.05 g/mol
Exact Mass1640.00
IUPAC Namedisilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide)
SMILESCc1ccccc1.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.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+].[Ag+]
InChIInChI=1S/2C15H4BF18N6.2C7H8.2Ag/c2*17-10(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;2*1-7-5-3-2-4-6-7;;/h2*1-3,16H;2*2-6H,1H3;;/q2*-1;;;2*+1
InChIKeyHADBLHBTXFWLEX-UHFFFAOYSA-N
XLogP16.09
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.05
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(copper(1+));ethene;bis(tris[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]boranuide)
CID 139167632
(mu~2~-Oxo)-bis{hydroxy[tris(3,5-dimethylpyrazol-1-yl)borato]nitrosylmolyb denum) toluene solvate
CID 139132378
Tris(bis(3,5-dimethylpyrazol-1-yl)boranuide);toluene;yttrium(3+)
CID 139136077
Nickel(2+);bis(tris(5-methyl-3-phenylpyrazol-1-yl)boranuide)
CID 139137458
Iron(2+);bis(tris(5-methyl-3-phenylpyrazol-1-yl)boranuide)
CID 139138077
Benzene;thulium(3+);bis(tris[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);iodide
CID 139142396
Cerium(3+);3,5-dimethylpyrazol-1-ide;toluene;bis(tris(3,5-dimethylpyrazol-1-yl)boranuide)
CID 168305815
Cerium(3+);toluene;bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);azide
CID 168305817

Frequently Asked Questions

What is the IUPAC name of disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide)?
The IUPAC name of disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide) (CID 139135161) is disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide).
What is the SMILES notation for disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide)?
The canonical SMILES for disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide) is Cc1ccccc1.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.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+].[Ag+].
What is the InChIKey of disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide)?
The InChIKey is HADBLHBTXFWLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H4BF18N6.2C7H8.2Ag/c2*17-10(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;2*1-7-5-3-2-4-6-7;;/h2*1-3,16H;2*2-6H,1H3;;/q2*-1;;;2*+1.
What are the key properties of disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide)?
disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide) has a molecular weight of 1642.05 g/mol, XLogP of 16.09, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;toluene;bis(tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide) is sourced from PubChem (CID 139135161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).