bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold

C28H28Au2Br4P2-4 — CID 134901694

IUPACbis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold
SMILESBr[Au].Br[Au].[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H14BrP.2Au.2BrH/c2*1-16(2,15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;;/h2*3-12H,1-2H2;;;2*1H/q2*-2;2*+1;;/p-2
InChIKeyBCFMPHPHELHODV-UHFFFAOYSA-L
MW1140.03 g/mol
LogP9.85
Rot. Bonds4

About bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold

bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold (PubChem CID 134901694) has the molecular formula C28H28Au2Br4P2-4 and a molecular weight of 1140.03 g/mol. Its IUPAC name is bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold.

Molecular Properties

Compound Namebis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold
PubChem CID134901694
Molecular FormulaC28H28Au2Br4P2-4
Molecular Weight1140.03 g/mol
Exact Mass1135.78
IUPAC Namebis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold
SMILESBr[Au].Br[Au].[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C14H14BrP.2Au.2BrH/c2*1-16(2,15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;;/h2*3-12H,1-2H2;;;2*1H/q2*-2;2*+1;;/p-2
InChIKeyBCFMPHPHELHODV-UHFFFAOYSA-L
XLogP9.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001140.03
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold
CID 134901334
bromo-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 173269490
carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)
CID 135046201
dibromo-(2-bromophenyl)-diphenyl-λ5-phosphane
CID 175455396
bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane
CID 14002017
dibromo-(4-methylphenyl)-diphenyl-λ5-phosphane
CID 100926580
bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane
CID 135051319
bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane
CID 139776623
chloro-[dichloro-[chloro(triphenyl)-λ5-phosphanyl]methyl]-triphenyl-λ5-phosphane
CID 174048595
bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane
CID 134869477
bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane
CID 140774468
bromo-triphenyl-prop-2-enyl-λ5-phosphane
CID 171779697

Frequently Asked Questions

What is the IUPAC name of bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold?
The IUPAC name of bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold (CID 134901694) is bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold.
What is the SMILES notation for bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold?
The canonical SMILES for bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold is Br[Au].Br[Au].[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold?
The InChIKey is BCFMPHPHELHODV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H14BrP.2Au.2BrH/c2*1-16(2,15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;;/h2*3-12H,1-2H2;;;2*1H/q2*-2;2*+1;;/p-2.
What are the key properties of bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold?
bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold has a molecular weight of 1140.03 g/mol, XLogP of 9.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold is sourced from PubChem (CID 134901694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).