bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone

C36H35Au2BrOP2-4 — CID 134901974

IUPACbromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone
SMILES[Au].[Au].[CH2-]C(=O)c1ccccc1.[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14BrP.C14H14P.C8H7O.2Au/c1-16(2,15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-7(9)8-5-3-2-4-6-8;;/h3-12H,1-2H2;3-12H,1-2H2;2-6H,1H2;;/q-2;2*-1;;
InChIKeyPXBKRFCXPDWHQG-UHFFFAOYSA-N
MW1019.46 g/mol
LogP9.02
Rot. Bonds5

About bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone

bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone (PubChem CID 134901974) has the molecular formula C36H35Au2BrOP2-4 and a molecular weight of 1019.46 g/mol. Its IUPAC name is bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone.

Molecular Properties

Compound Namebromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone
PubChem CID134901974
Molecular FormulaC36H35Au2BrOP2-4
Molecular Weight1019.46 g/mol
Exact Mass1018.07
IUPAC Namebromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone
SMILES[Au].[Au].[CH2-]C(=O)c1ccccc1.[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14BrP.C14H14P.C8H7O.2Au/c1-16(2,15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-7(9)8-5-3-2-4-6-8;;/h3-12H,1-2H2;3-12H,1-2H2;2-6H,1H2;;/q-2;2*-1;;
InChIKeyPXBKRFCXPDWHQG-UHFFFAOYSA-N
XLogP9.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.46
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane
CID 134889957
bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold
CID 134901694
1-phenylethanone;bis(yttrium)
CID 58212087
[dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide
CID 134901330
diphenylmethanone;gold
CID 174931146
N'-oxidobenzohydrazide
CID 174971627
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
benzoyl bromide
CID 12056
benzoic acid;(1R,2S)-cyclohexa-3,5-diene-1,2-diol
CID 71406115
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
2-[2-[chloro-(dimethylamino)-diphenyl-λ5-phosphanyl]phenyl]-1-phenylethanone
CID 140694854
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950

Frequently Asked Questions

What is the IUPAC name of bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone?
The IUPAC name of bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone (CID 134901974) is bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone.
What is the SMILES notation for bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone?
The canonical SMILES for bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone is [Au].[Au].[CH2-]C(=O)c1ccccc1.[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone?
The InChIKey is PXBKRFCXPDWHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrP.C14H14P.C8H7O.2Au/c1-16(2,15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-7(9)8-5-3-2-4-6-8;;/h3-12H,1-2H2;3-12H,1-2H2;2-6H,1H2;;/q-2;2*-1;;.
What are the key properties of bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone?
bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone has a molecular weight of 1019.46 g/mol, XLogP of 9.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone is sourced from PubChem (CID 134901974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).