heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide)

C83H66Ag7F42N31 — CID 139181961

IUPACheptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide)
SMILESCC#N.CCN(CC)c1ccc(-c2nc(-n3nc(C)cc3C)nc(-n3nc(C)cc3C)n2)cc1.CCN(CC)c1ccc(-c2nc(-n3nc(C)cc3C)nc(-n3nc(C)cc3C)n2)cc1.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+]
InChIInChI=1S/2C23H28N8.7C5HF6N2.C2H3N.7Ag/c2*1-7-29(8-2)20-11-9-19(10-12-20)21-24-22(30-17(5)13-15(3)27-30)26-23(25-21)31-18(6)14-16(4)28-31;7*6-4(7,8)2-1-3(13-12-2)5(9,10)11;1-2-3;;;;;;;/h2*9-14H,7-8H2,1-6H3;7*1H;1H3;;;;;;;/q;;7*-1;;7*+1
InChIKeyALMCYQDHTIZGNR-UHFFFAOYSA-N
MW3050.65 g/mol
LogP23.03
Rot. Bonds12

About heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide)

heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide) (PubChem CID 139181961) has the molecular formula C83H66Ag7F42N31 and a molecular weight of 3050.65 g/mol. Its IUPAC name is heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide).

Molecular Properties

Compound Nameheptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide)
PubChem CID139181961
Molecular FormulaC83H66Ag7F42N31
Molecular Weight3050.65 g/mol
Exact Mass3042.88
IUPAC Nameheptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide)
SMILESCC#N.CCN(CC)c1ccc(-c2nc(-n3nc(C)cc3C)nc(-n3nc(C)cc3C)n2)cc1.CCN(CC)c1ccc(-c2nc(-n3nc(C)cc3C)nc(-n3nc(C)cc3C)n2)cc1.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+]
InChIInChI=1S/2C23H28N8.7C5HF6N2.C2H3N.7Ag/c2*1-7-29(8-2)20-11-9-19(10-12-20)21-24-22(30-17(5)13-15(3)27-30)26-23(25-21)31-18(6)14-16(4)28-31;7*6-4(7,8)2-1-3(13-12-2)5(9,10)11;1-2-3;;;;;;;/h2*9-14H,7-8H2,1-6H3;7*1H;1H3;;;;;;;/q;;7*-1;;7*+1
InChIKeyALMCYQDHTIZGNR-UHFFFAOYSA-N
XLogP23.03
TPSA367.82 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003050.65
LogP ≤ 523.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Frequently Asked Questions

What is the IUPAC name of heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide)?
The IUPAC name of heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide) (CID 139181961) is heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide).
What is the SMILES notation for heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide)?
The canonical SMILES for heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide) is CC#N.CCN(CC)c1ccc(-c2nc(-n3nc(C)cc3C)nc(-n3nc(C)cc3C)n2)cc1.CCN(CC)c1ccc(-c2nc(-n3nc(C)cc3C)nc(-n3nc(C)cc3C)n2)cc1.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+].
What is the InChIKey of heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide)?
The InChIKey is ALMCYQDHTIZGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H28N8.7C5HF6N2.C2H3N.7Ag/c2*1-7-29(8-2)20-11-9-19(10-12-20)21-24-22(30-17(5)13-15(3)27-30)26-23(25-21)31-18(6)14-16(4)28-31;7*6-4(7,8)2-1-3(13-12-2)5(9,10)11;1-2-3;;;;;;;/h2*9-14H,7-8H2,1-6H3;7*1H;1H3;;;;;;;/q;;7*-1;;7*+1.
What are the key properties of heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide)?
heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide) has a molecular weight of 3050.65 g/mol, XLogP of 23.03, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for heptasilver;acetonitrile;bis(4-[4,6-bis(3,5-dimethylpyrazol-1-yl)-1,3,5-triazin-2-yl]-N,N-diethylaniline);heptakis(3,5-bis(trifluoromethyl)pyrazol-1-ide) is sourced from PubChem (CID 139181961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).