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

C52H35Ag3Cl3N7 — CID 139198408

IUPACtrisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)
SMILESClc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.N#Cc1ccccc1.[Ag+].[Ag+].[Ag+]
InChIInChI=1S/3C15H10ClN2.C7H5N.3Ag/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7;;;/h3*1-10H;1-5H;;;/q3*-1;;3*+1
InChIKeyQVOIIJXFTLJDGF-UHFFFAOYSA-N
MW1187.86 g/mol
LogP13.63
Rot. Bonds6

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

trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide) (PubChem CID 139198408) has the molecular formula C52H35Ag3Cl3N7 and a molecular weight of 1187.86 g/mol. Its IUPAC name is trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide).

Molecular Properties

Compound Nametrisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)
PubChem CID139198408
Molecular FormulaC52H35Ag3Cl3N7
Molecular Weight1187.86 g/mol
Exact Mass1182.92
IUPAC Nametrisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)
SMILESClc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.N#Cc1ccccc1.[Ag+].[Ag+].[Ag+]
InChIInChI=1S/3C15H10ClN2.C7H5N.3Ag/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7;;;/h3*1-10H;1-5H;;;/q3*-1;;3*+1
InChIKeyQVOIIJXFTLJDGF-UHFFFAOYSA-N
XLogP13.63
TPSA104.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001187.86
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)?
The IUPAC name of trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide) (CID 139198408) is trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide).
What is the SMILES notation for trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)?
The canonical SMILES for trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide) is Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.N#Cc1ccccc1.[Ag+].[Ag+].[Ag+].
What is the InChIKey of trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)?
The InChIKey is QVOIIJXFTLJDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H10ClN2.C7H5N.3Ag/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;8-6-7-4-2-1-3-5-7;;;/h3*1-10H;1-5H;;;/q3*-1;;3*+1.
What are the key properties of trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)?
trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide) has a molecular weight of 1187.86 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisilver;benzonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide) is sourced from PubChem (CID 139198408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).