dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene

C74H28Au12F72N24 — CID 139129874

IUPACdodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene
SMILESCc1ccccc1.Cc1ccccc1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+]
InChIInChI=1S/2C7H8.12C5HF6N2.12Au/c2*1-7-5-3-2-4-6-7;12*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;/h2*2-6H,1H3;12*1H;;;;;;;;;;;;/q;;12*-1;12*+1
InChIKeyUUQYSCXHZYRQGJ-UHFFFAOYSA-N
MW4984.67 g/mol
LogP28.88
Rot. Bonds

About dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene

dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene (PubChem CID 139129874) has the molecular formula C74H28Au12F72N24 and a molecular weight of 4984.67 g/mol. Its IUPAC name is dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene.

Molecular Properties

Compound Namedodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene
PubChem CID139129874
Molecular FormulaC74H28Au12F72N24
Molecular Weight4984.67 g/mol
Exact Mass4983.78
IUPAC Namedodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene
SMILESCc1ccccc1.Cc1ccccc1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+]
InChIInChI=1S/2C7H8.12C5HF6N2.12Au/c2*1-7-5-3-2-4-6-7;12*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;/h2*2-6H,1H3;12*1H;;;;;;;;;;;;/q;;12*-1;12*+1
InChIKeyUUQYSCXHZYRQGJ-UHFFFAOYSA-N
XLogP28.88
TPSA323.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004984.67
LogP ≤ 528.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

[3-(CF3),5-(Ph)PzCu]3
CID 139118754
{[3-CF3,5-tBuPz]Ag}3-tol
CID 139129026
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CID 139177051
Tris(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(copper(1+));1,3,5-trimethylbenzene
CID 139177052
Hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene
CID 139177053
Copper;tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));ethynylbenzene
CID 168350705
Tris(bis(3,5-dimethylpyrazol-1-yl)boranuide);toluene;yttrium(3+)
CID 139136077
Dodecasilver;heptakis(3-methyl-5-phenylpyrazol-1-ide);pentakis(5-methyl-3-phenylpyrazol-1-ide)
CID 139146360
Hexasilver;hexakis(3,5-dimethyl-4-[[4-(1,2,2-triphenylethenyl)phenyl]methyl]pyrazol-1-ide)
CID 139174014
{[3,5-(CF3)2Pz]Ag}3-0.5tol
CID 139129023
CID 139149638
CID 139149638
CID 10931305
CID 10931305

Frequently Asked Questions

What is the IUPAC name of dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene?
The IUPAC name of dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene (CID 139129874) is dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene.
What is the SMILES notation for dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene?
The canonical SMILES for dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene is Cc1ccccc1.Cc1ccccc1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].
What is the InChIKey of dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene?
The InChIKey is UUQYSCXHZYRQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.12C5HF6N2.12Au/c2*1-7-5-3-2-4-6-7;12*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;/h2*2-6H,1H3;12*1H;;;;;;;;;;;;/q;;12*-1;12*+1.
What are the key properties of dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene?
dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene has a molecular weight of 4984.67 g/mol, XLogP of 28.88, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(gold(1+));toluene is sourced from PubChem (CID 139129874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).