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

C46H32Au3Br3Cl2N6 — CID 139146362

IUPACtris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
SMILESBrc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.ClCCl.[Au+].[Au+].[Au+]
InChIInChI=1S/3C15H10BrN2.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
InChIKeyCQXQUZQHLSSNIZ-UHFFFAOYSA-N
MW1570.32 g/mol
LogP13.82
Rot. Bonds6

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

tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) (PubChem CID 139146362) has the molecular formula C46H32Au3Br3Cl2N6 and a molecular weight of 1570.32 g/mol. Its IUPAC name is tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)).

Molecular Properties

Compound Nametris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
PubChem CID139146362
Molecular FormulaC46H32Au3Br3Cl2N6
Molecular Weight1570.32 g/mol
Exact Mass1565.86
IUPAC Nametris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))
SMILESBrc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.ClCCl.[Au+].[Au+].[Au+]
InChIInChI=1S/3C15H10BrN2.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
InChIKeyCQXQUZQHLSSNIZ-UHFFFAOYSA-N
XLogP13.82
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001570.32
LogP ≤ 513.82
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

Hexasilver;hexakis(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane
CID 139146361
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;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
Tris(4-bromo-5-methyl-3-phenylpyrazol-1-yl)boranuide
CID 139128786
Copper, tris[|I-[4-(4-bromophenyl)-3,5-dimethyl-1H-pyrazolato-|EN1:|EN2]]tri-, cyclo
CID 168438352

Frequently Asked Questions

What is the IUPAC name of tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?
The IUPAC name of tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) (CID 139146362) is tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)).
What is the SMILES notation for tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?
The canonical SMILES for tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) is Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.Brc1c(-c2ccccc2)n[n-]c1-c1ccccc1.ClCCl.[Au+].[Au+].[Au+].
What is the InChIKey of tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?
The InChIKey is CQXQUZQHLSSNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H10BrN2.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-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+))?
tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) has a molecular weight of 1570.32 g/mol, XLogP of 13.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-bromo-3,5-diphenylpyrazol-1-ide);dichloromethane;tris(gold(1+)) is sourced from PubChem (CID 139146362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).