trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)

C47H33Ag3Cl3N7 — CID 139198407

IUPACtrisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)
SMILESCC#N.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.[Ag+].[Ag+].[Ag+]
InChIInChI=1S/3C15H10ClN2.C2H3N.3Ag/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;1-2-3;;;/h3*1-10H;1H3;;;/q3*-1;;3*+1
InChIKeyPGCLYDZFLACEPK-UHFFFAOYSA-N
MW1125.79 g/mol
LogP12.60
Rot. Bonds6

About trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)

trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide) (PubChem CID 139198407) has the molecular formula C47H33Ag3Cl3N7 and a molecular weight of 1125.79 g/mol. Its IUPAC name is trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide).

Molecular Properties

Compound Nametrisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)
PubChem CID139198407
Molecular FormulaC47H33Ag3Cl3N7
Molecular Weight1125.79 g/mol
Exact Mass1120.90
IUPAC Nametrisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)
SMILESCC#N.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.[Ag+].[Ag+].[Ag+]
InChIInChI=1S/3C15H10ClN2.C2H3N.3Ag/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;1-2-3;;;/h3*1-10H;1H3;;;/q3*-1;;3*+1
InChIKeyPGCLYDZFLACEPK-UHFFFAOYSA-N
XLogP12.60
TPSA104.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.79
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Trisilver;tris(3,5-bis[3,5-bis(trifluoromethyl)phenyl]pyrazol-1-ide);dichloromethane
CID 168349905
Tris(3,5-diphenylpyrazol-1-yl)borane
CID 91278876
Tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
CID 139146362
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
Trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)
CID 139198408
Trisilver;tris(4-iodo-3,5-diphenylpyrazol-1-ide)
CID 139198409
Hexasilver;chloroform;hexakis(4-methyl-3,5-diphenylpyrazol-1-ide)
CID 139198410
Tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
CID 139198411
Tris(gold(1+));tris(4-iodo-3,5-diphenylpyrazol-1-ide)
CID 139198412
Tris(4-chloro-3,5-diphenylpyrazol-1-ide);tris(copper(1+))
CID 168343016
Chloroplatinum;tris(3,5-diphenylpyrazol-1-ide)
CID 57815549

Frequently Asked Questions

What is the IUPAC name of trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)?
The IUPAC name of trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide) (CID 139198407) is trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide).
What is the SMILES notation for trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)?
The canonical SMILES for trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide) is CC#N.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.[Ag+].[Ag+].[Ag+].
What is the InChIKey of trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)?
The InChIKey is PGCLYDZFLACEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H10ClN2.C2H3N.3Ag/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;1-2-3;;;/h3*1-10H;1H3;;;/q3*-1;;3*+1.
What are the key properties of trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)?
trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide) has a molecular weight of 1125.79 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisilver;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide) is sourced from PubChem (CID 139198407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).