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

C53H36AgBF24 — CID 18318752

IUPACsilver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene
SMILESCc1ccccc1.Cc1ccccc1.Cc1ccccc1.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+]
InChIInChI=1S/C32H12BF24.3C7H8.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;3*1-7-5-3-2-4-6-7;/h1-12H;3*2-6H,1H3;/q-1;;;;+1
InChIKeyQANLEAGJAYRMOM-UHFFFAOYSA-N
MW1247.50 g/mol
LogP17.20
Rot. Bonds4

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

silver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene (PubChem CID 18318752) has the molecular formula C53H36AgBF24 and a molecular weight of 1247.50 g/mol. Its IUPAC name is silver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene.

Molecular Properties

Compound Namesilver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene
PubChem CID18318752
Molecular FormulaC53H36AgBF24
Molecular Weight1247.50 g/mol
Exact Mass1246.16
IUPAC Namesilver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene
SMILESCc1ccccc1.Cc1ccccc1.Cc1ccccc1.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+]
InChIInChI=1S/C32H12BF24.3C7H8.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;3*1-7-5-3-2-4-6-7;/h1-12H;3*2-6H,1H3;/q-1;;;;+1
InChIKeyQANLEAGJAYRMOM-UHFFFAOYSA-N
XLogP17.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.50
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of silver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene?
The IUPAC name of silver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene (CID 18318752) is silver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene.
What is the SMILES notation for silver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene?
The canonical SMILES for silver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene is Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.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;toluene?
The InChIKey is QANLEAGJAYRMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12BF24.3C7H8.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;3*1-7-5-3-2-4-6-7;/h1-12H;3*2-6H,1H3;/q-1;;;;+1.
What are the key properties of silver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene?
silver;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;toluene has a molecular weight of 1247.50 g/mol, XLogP of 17.20, 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;toluene is sourced from PubChem (CID 18318752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).