hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane

C91H62Ag6Br6Cl2N12 — CID 139146361

IUPAChexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane
SMILESBrc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.ClCCl.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+]
InChIInChI=1S/6C15H10BrN2.CH2Cl2.6Ag/c6*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;2-1-3;;;;;;/h6*1-10H;1H2;;;;;;/q6*-1;;6*+1
InChIKeyZKXHWRFLCYSENR-UHFFFAOYSA-N
MW2521.12 g/mol
LogP26.22
Rot. Bonds12

About hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane

hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane (PubChem CID 139146361) has the molecular formula C91H62Ag6Br6Cl2N12 and a molecular weight of 2521.12 g/mol. Its IUPAC name is hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane.

Molecular Properties

Compound Namehexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane
PubChem CID139146361
Molecular FormulaC91H62Ag6Br6Cl2N12
Molecular Weight2521.12 g/mol
Exact Mass2507.40
IUPAC Namehexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane
SMILESBrc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.ClCCl.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+]
InChIInChI=1S/6C15H10BrN2.CH2Cl2.6Ag/c6*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;2-1-3;;;;;;/h6*1-10H;1H2;;;;;;/q6*-1;;6*+1
InChIKeyZKXHWRFLCYSENR-UHFFFAOYSA-N
XLogP26.22
TPSA161.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002521.12
LogP ≤ 526.22
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

Bis(acetonitrile);bis(copper(1+));bis(dichloromethane);bis(tris[3,4-dibromo-5-(4-methylphenyl)pyrazol-1-yl]boranuide)
CID 139128787
Dodecasilver;heptakis(3-methyl-5-phenylpyrazol-1-ide);pentakis(5-methyl-3-phenylpyrazol-1-ide)
CID 139146360
Tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
CID 139146362
Hexasilver;hexakis(3,5-dimethyl-4-[[4-(1,2,2-triphenylethenyl)phenyl]methyl]pyrazol-1-ide)
CID 139174014
Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)
CID 139198410
Hexasilver;chloroform;bis(cyclohexane);tris(4-[[7-[(3,5-diphenylpyrazol-1-id-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-diphenylpyrazol-1-ide)
CID 139160547

Frequently Asked Questions

What is the IUPAC name of hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane?
The IUPAC name of hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane (CID 139146361) is hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane.
What is the SMILES notation for hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane?
The canonical SMILES for hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane is Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.ClCCl.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].
What is the InChIKey of hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane?
The InChIKey is ZKXHWRFLCYSENR-UHFFFAOYSA-N. The full InChI is InChI=1S/6C15H10BrN2.CH2Cl2.6Ag/c6*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;2-1-3;;;;;;/h6*1-10H;1H2;;;;;;/q6*-1;;6*+1.
What are the key properties of hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane?
hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane has a molecular weight of 2521.12 g/mol, XLogP of 26.22, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane is sourced from PubChem (CID 139146361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).