hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)

C97H79Ag6Cl3N12 — CID 139198410

IUPAChexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)
SMILESCc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.ClC(Cl)Cl.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+]
InChIInChI=1S/6C16H13N2.CHCl3.6Ag/c6*1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14;2-1(3)4;;;;;;/h6*2-11H,1H3;1H;;;;;;/q6*-1;;6*+1
InChIKeySWQJGOOTISOZBK-UHFFFAOYSA-N
MW2166.35 g/mol
LogP24.06
Rot. Bonds12

About hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)

hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide) (PubChem CID 139198410) has the molecular formula C97H79Ag6Cl3N12 and a molecular weight of 2166.35 g/mol. Its IUPAC name is hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide).

Molecular Properties

Compound Namehexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)
PubChem CID139198410
Molecular FormulaC97H79Ag6Cl3N12
Molecular Weight2166.35 g/mol
Exact Mass2157.99
IUPAC Namehexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)
SMILESCc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.ClC(Cl)Cl.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+]
InChIInChI=1S/6C16H13N2.CHCl3.6Ag/c6*1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14;2-1(3)4;;;;;;/h6*2-11H,1H3;1H;;;;;;/q6*-1;;6*+1
InChIKeySWQJGOOTISOZBK-UHFFFAOYSA-N
XLogP24.06
TPSA161.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002166.35
LogP ≤ 524.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Trisilver;tris(3,5-bis[3,5-bis(trifluoromethyl)phenyl]pyrazol-1-ide);dichloromethane
CID 168349905
Chloroform;cobalt(2+);bis(tris(4-benzyl-3,5-dimethylpyrazol-1-yl)boranuide)
CID 139044872
cyclo-Tris(mu~2~-3-phenyl-1H-pyrazole)tricopper(I)
CID 139069871
Tetrasilver;bis(3,5-dimethylpyrazol-1-ide);hexakis(3,5-diphenylpyrazol-1-ide);bis(platinum(2+))
CID 139137527
Dodecasilver;heptakis(3-methyl-5-phenylpyrazol-1-ide);pentakis(5-methyl-3-phenylpyrazol-1-ide)
CID 139146360
Hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane
CID 139146361
Tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
CID 139146362
Hexakis(copper(1+));tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)
CID 139160546
Trisilver;tris(4-chloro-3,5-diphenylpyrazol-1-ide);bis(dichloromethane)
CID 139164974
Tris(3,5-dimethyl-4-[[4-(1,2,2-triphenylethenyl)phenyl]methyl]pyrazol-1-ide);tris(gold(1+))
CID 139174012
Hexasilver;hexakis(3,5-dimethyl-4-[[4-(1,2,2-triphenylethenyl)phenyl]methyl]pyrazol-1-ide)
CID 139174014
Trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)
CID 139198407

Frequently Asked Questions

What is the IUPAC name of hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)?
The IUPAC name of hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide) (CID 139198410) is hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide).
What is the SMILES notation for hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)?
The canonical SMILES for hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide) is Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Cc1c(-c2ccccc2)n[n-]c1-c1ccccc1.ClC(Cl)Cl.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].
What is the InChIKey of hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)?
The InChIKey is SWQJGOOTISOZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/6C16H13N2.CHCl3.6Ag/c6*1-12-15(13-8-4-2-5-9-13)17-18-16(12)14-10-6-3-7-11-14;2-1(3)4;;;;;;/h6*2-11H,1H3;1H;;;;;;/q6*-1;;6*+1.
What are the key properties of hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)?
hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide) has a molecular weight of 2166.35 g/mol, XLogP of 24.06, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide) is sourced from PubChem (CID 139198410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).