acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold

C30H30Au2BrNP2-4 — CID 134901334

IUPACacetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold
SMILES[Au].[Au].[CH2-]C#N.[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14BrP.C14H14P.C2H2N.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;1-2-3;;/h3-12H,1-2H2;3-12H,1-2H2;1H2;;/q-2;2*-1;;
InChIKeyHBYUZWDVBYCKBW-UHFFFAOYSA-N
MW940.36 g/mol
LogP7.66
Rot. Bonds4

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

acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold (PubChem CID 134901334) has the molecular formula C30H30Au2BrNP2-4 and a molecular weight of 940.36 g/mol. Its IUPAC name is acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold.

Molecular Properties

Compound Nameacetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold
PubChem CID134901334
Molecular FormulaC30H30Au2BrNP2-4
Molecular Weight940.36 g/mol
Exact Mass939.04
IUPAC Nameacetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold
SMILES[Au].[Au].[CH2-]C#N.[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14BrP.C14H14P.C2H2N.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;1-2-3;;/h3-12H,1-2H2;3-12H,1-2H2;1H2;;/q-2;2*-1;;
InChIKeyHBYUZWDVBYCKBW-UHFFFAOYSA-N
XLogP7.66
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.36
LogP ≤ 57.66
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

bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone
CID 134901974
carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane
CID 134889957
bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold
CID 134901694
[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide
CID 134901253
[dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide
CID 134901330
carbanide;bis(dimethanidyl(diphenyl)phosphanium);gold;gold(3+);bis(1,2,3,4,5-pentafluorobenzene-6-ide)
CID 134901244
[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane
CID 134901255
cyano(triphenyl)phosphanium bromide
CID 155068571
gold(1+);[methyl(triphenyl)-λ5-phosphanyl]formonitrile;cyanide
CID 13222343
carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)
CID 135046201
bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane
CID 14002017
bromo-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 173269490

Frequently Asked Questions

What is the IUPAC name of acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold?
The IUPAC name of acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold (CID 134901334) is acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold.
What is the SMILES notation for acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold?
The canonical SMILES for acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold is [Au].[Au].[CH2-]C#N.[CH2-]P([CH2-])(Br)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.
What is the InChIKey of acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold?
The InChIKey is HBYUZWDVBYCKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrP.C14H14P.C2H2N.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;1-2-3;;/h3-12H,1-2H2;3-12H,1-2H2;1H2;;/q-2;2*-1;;.
What are the key properties of acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold?
acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold has a molecular weight of 940.36 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold is sourced from PubChem (CID 134901334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).