silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

C32H12AgBF24 — CID 24773254

IUPACsilver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESFC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[Ag+]
InChIInChI=1S/C32H12BF24.Ag/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1
InChIKeyDNNXVTQEKMFBEH-UHFFFAOYSA-N
MW971.08 g/mol
LogP11.21
Rot. Bonds4

About silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (PubChem CID 24773254) has the molecular formula C32H12AgBF24 and a molecular weight of 971.08 g/mol. Its IUPAC name is silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.

Molecular Properties

Compound Namesilver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
PubChem CID24773254
Molecular FormulaC32H12AgBF24
Molecular Weight971.08 g/mol
Exact Mass969.97
IUPAC Namesilver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESFC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[Ag+]
InChIInChI=1S/C32H12BF24.Ag/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1
InChIKeyDNNXVTQEKMFBEH-UHFFFAOYSA-N
XLogP11.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.08
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;dihydrate
CID 140670256
cobalt(3+);tris(ethane-1,2-diamine);tris(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide);tetradecahydrate
CID 24938695
tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;triphenylsulfanium
CID 87498382
CID 11722197
CID 11722197
sodium tetrakis[3-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-5-(trifluoromethyl)phenyl]boranuide
CID 23686146
2-diethylphosphanylethyl(diethyl)phosphane;iron;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139052308
1-methoxypyridin-1-ium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139732149
1-phenylethylbenzene;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 18783224
tetrakis[3-[1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethoxy)propan-2-yl]-5-(trifluoromethyl)phenyl]boranuide
CID 15648628
tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tris(4-tert-butylphenyl)sulfanium
CID 139960063
bis(5-chlorothiophen-2-yl)iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139729236
dicyclohexylazanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 18441196

Frequently Asked Questions

What is the IUPAC name of silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The IUPAC name of silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (CID 24773254) is silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.
What is the SMILES notation for silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The canonical SMILES for silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[Ag+].
What is the InChIKey of silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The InChIKey is DNNXVTQEKMFBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12BF24.Ag/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1.
What are the key properties of silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide has a molecular weight of 971.08 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for silver tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is sourced from PubChem (CID 24773254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).