triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene

C192H78Ag30F180N60 — CID 139129023

IUPACtriacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene
SMILESCc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.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.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.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.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+]
InChIInChI=1S/6C7H8.30C5HF6N2.30Ag/c6*1-7-5-3-2-4-6-7;30*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6*2-6H,1H3;30*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;30*-1;30*+1
InChIKeyHAQWGDSHZIHKDR-UHFFFAOYSA-N
MW9880.84 g/mol
LogP74.19
Rot. Bonds

About triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene

triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene (PubChem CID 139129023) has the molecular formula C192H78Ag30F180N60 and a molecular weight of 9880.84 g/mol. Its IUPAC name is triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene.

Molecular Properties

Compound Nametriacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene
PubChem CID139129023
Molecular FormulaC192H78Ag30F180N60
Molecular Weight9880.84 g/mol
Exact Mass9849.66
IUPAC Nametriacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene
SMILESCc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.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.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.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.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+]
InChIInChI=1S/6C7H8.30C5HF6N2.30Ag/c6*1-7-5-3-2-4-6-7;30*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6*2-6H,1H3;30*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;30*-1;30*+1
InChIKeyHAQWGDSHZIHKDR-UHFFFAOYSA-N
XLogP74.19
TPSA809.70 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms462
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5009880.84
LogP ≤ 574.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene with MolForge

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Related Compounds

[3-(CF3),5-(Ph)PzCu]3
CID 139118754
{[3-CF3,5-tBuPz]Ag}3-tol
CID 139129026
{[3,5-(CF3)2Pz]Au}3-0.5Toluene
CID 139129874
Benzene;dodecakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);dodecakis(copper(1+))
CID 139177051
Hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);hexakis(copper(1+));naphthalene
CID 139177053
Nonasilver;nonakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(4,6-dimethyldibenzothiophene)
CID 168342575
Tris(3,5-bis[3,5-bis(trifluoromethyl)phenyl]pyrazol-1-ide);tris(gold(1+))
CID 168349906
Hexasilver;benzo[c]cinnoline;hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide)
CID 168349955
Copper;tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));ethynylbenzene
CID 168350705
cyclo-Tris(mu~2~-3-phenyl-1H-pyrazole)tricopper(I)
CID 139069871
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

Frequently Asked Questions

What is the IUPAC name of triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene?
The IUPAC name of triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene (CID 139129023) is triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene.
What is the SMILES notation for triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene?
The canonical SMILES for triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene is Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.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.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.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.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].
What is the InChIKey of triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene?
The InChIKey is HAQWGDSHZIHKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/6C7H8.30C5HF6N2.30Ag/c6*1-7-5-3-2-4-6-7;30*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6*2-6H,1H3;30*1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;30*-1;30*+1.
What are the key properties of triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene?
triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene has a molecular weight of 9880.84 g/mol, XLogP of 74.19, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for triacontasilver;(3,5-bis(trifluoromethyl)pyrazol-1-ide);toluene is sourced from PubChem (CID 139129023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).