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

C23H10AgBF18N6 — CID 134901373

IUPACsilver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide
SMILESC#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+]
InChIInChI=1S/C15H4BF18N6.C8H6.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;1-2-8-6-4-3-5-7-8;/h1-3,16H;1,3-7H;/q-1;;+1
InChIKeyFGDREFCDHBAAFO-UHFFFAOYSA-N
MW831.02 g/mol
LogP7.72
Rot. Bonds3

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

silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide (PubChem CID 134901373) has the molecular formula C23H10AgBF18N6 and a molecular weight of 831.02 g/mol. Its IUPAC name is silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide.

Molecular Properties

Compound Namesilver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide
PubChem CID134901373
Molecular FormulaC23H10AgBF18N6
Molecular Weight831.02 g/mol
Exact Mass829.98
IUPAC Namesilver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide
SMILESC#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+]
InChIInChI=1S/C15H4BF18N6.C8H6.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;1-2-8-6-4-3-5-7-8;/h1-3,16H;1,3-7H;/q-1;;+1
InChIKeyFGDREFCDHBAAFO-UHFFFAOYSA-N
XLogP7.72
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.02
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Silver;toluene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide
CID 15421219
{[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
CID 11072757
CID 11072757
Tris[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]borane
CID 101337505
CID 136675329
CID 136675329
Tris[3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]boranuide
CID 139167633
Tris[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]boranuide
CID 139167637
CID 10897019
CID 10897019
CID 10919307
CID 10919307
CID 11828753
CID 11828753

Frequently Asked Questions

What is the IUPAC name of silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide?
The IUPAC name of silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide (CID 134901373) is silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide.
What is the SMILES notation for silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide?
The canonical SMILES for silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide is C#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;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide?
The InChIKey is FGDREFCDHBAAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H4BF18N6.C8H6.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;1-2-8-6-4-3-5-7-8;/h1-3,16H;1,3-7H;/q-1;;+1.
What are the key properties of silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide?
silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide has a molecular weight of 831.02 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silver;ethynylbenzene;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide is sourced from PubChem (CID 134901373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).