hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide)

C138H114Ag6N12S12 — CID 139120906

IUPAChexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide)
SMILES[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/6C23H19N2S2.6Ag/c6*1-4-10-18(11-5-1)23-21(16-26-19-12-6-2-7-13-19)24-25-22(23)17-27-20-14-8-3-9-15-20;;;;;;/h6*1-15H,16-17H2;;;;;;/q6*-1;6*+1
InChIKeyBUSUVKQLHNLWRT-UHFFFAOYSA-N
MW2972.53 g/mol
LogP37.73
Rot. Bonds42

About hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide)

hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide) (PubChem CID 139120906) has the molecular formula C138H114Ag6N12S12 and a molecular weight of 2972.53 g/mol. Its IUPAC name is hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide).

Molecular Properties

Compound Namehexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide)
PubChem CID139120906
Molecular FormulaC138H114Ag6N12S12
Molecular Weight2972.53 g/mol
Exact Mass2964.02
IUPAC Namehexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide)
SMILES[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/6C23H19N2S2.6Ag/c6*1-4-10-18(11-5-1)23-21(16-26-19-12-6-2-7-13-19)24-25-22(23)17-27-20-14-8-3-9-15-20;;;;;;/h6*1-15H,16-17H2;;;;;;/q6*-1;6*+1
InChIKeyBUSUVKQLHNLWRT-UHFFFAOYSA-N
XLogP37.73
TPSA161.94 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002972.53
LogP ≤ 537.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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Related Compounds

Nonasilver;nonakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tris(4,6-dimethyldibenzothiophene)
CID 168342575
Hexakis(gold(1+));oxolane;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide)
CID 139120907
Hexakis(gold(1+));tetrakis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);bis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide)
CID 139123312
Hexakis(gold(1+));bis(3-phenyl-5-thiophen-2-ylpyrazol-1-ide);tetrakis(5-phenyl-3-thiophen-2-ylpyrazol-1-ide)
CID 139123313
Hexasilver;hexakis(3,5-dimethyl-4-[[4-(1,2,2-triphenylethenyl)phenyl]methyl]pyrazol-1-ide)
CID 139174014
Gold, tris[|I-[3-phenyl-5-(2-thienyl)-1H-pyrazolato-|EN1:|EN2]]tri-, cyclo
CID 168437240

Frequently Asked Questions

What is the IUPAC name of hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide)?
The IUPAC name of hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide) (CID 139120906) is hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide).
What is the SMILES notation for hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide)?
The canonical SMILES for hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide) is [Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.c1ccc(SCc2n[n-]c(CSc3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide)?
The InChIKey is BUSUVKQLHNLWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C23H19N2S2.6Ag/c6*1-4-10-18(11-5-1)23-21(16-26-19-12-6-2-7-13-19)24-25-22(23)17-27-20-14-8-3-9-15-20;;;;;;/h6*1-15H,16-17H2;;;;;;/q6*-1;6*+1.
What are the key properties of hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide)?
hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide) has a molecular weight of 2972.53 g/mol, XLogP of 37.73, 42 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for hexasilver;hexakis(4-phenyl-3,5-bis(phenylsulfanylmethyl)pyrazol-1-ide) is sourced from PubChem (CID 139120906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).