tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))

C46H32Au3Cl5N6 — CID 139198411

IUPACtris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
SMILESClCCl.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.[Au+].[Au+].[Au+]
InChIInChI=1S/3C15H10ClN2.CH2Cl2.3Au/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;2-1-3;;;/h3*1-10H;1H2;;;/q3*-1;;3*+1
InChIKeyZMCXOYVNXVILHF-UHFFFAOYSA-N
MW1436.97 g/mol
LogP13.49
Rot. Bonds6

About tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))

tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) (PubChem CID 139198411) has the molecular formula C46H32Au3Cl5N6 and a molecular weight of 1436.97 g/mol. Its IUPAC name is tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)).

Molecular Properties

Compound Nametris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
PubChem CID139198411
Molecular FormulaC46H32Au3Cl5N6
Molecular Weight1436.97 g/mol
Exact Mass1434.01
IUPAC Nametris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
SMILESClCCl.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.[Au+].[Au+].[Au+]
InChIInChI=1S/3C15H10ClN2.CH2Cl2.3Au/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;2-1-3;;;/h3*1-10H;1H2;;;/q3*-1;;3*+1
InChIKeyZMCXOYVNXVILHF-UHFFFAOYSA-N
XLogP13.49
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001436.97
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
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;acetonitrile;tris(4-chloro-3,5-diphenylpyrazol-1-ide)
CID 139198407
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(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 tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?
The IUPAC name of tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) (CID 139198411) is tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)).
What is the SMILES notation for tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?
The canonical SMILES for tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) is ClCCl.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Clc1c(-c2ccccc2)n[n-]c1-c1ccccc1.[Au+].[Au+].[Au+].
What is the InChIKey of tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?
The InChIKey is ZMCXOYVNXVILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H10ClN2.CH2Cl2.3Au/c3*16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12;2-1-3;;;/h3*1-10H;1H2;;;/q3*-1;;3*+1.
What are the key properties of tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?
tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) has a molecular weight of 1436.97 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-chloro-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) is sourced from PubChem (CID 139198411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).