carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane

C29H31Au2IP2-4 — CID 134889957

IUPACcarbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane
SMILES[Au].[Au].[CH2-]P([CH2-])(I)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH3-]
InChIInChI=1S/C14H14IP.C14H14P.CH3.2Au/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;;;/h3-12H,1-2H2;3-12H,1-2H2;1H3;;/q-2;2*-1;;
InChIKeySAXDULJMYOLQML-UHFFFAOYSA-N
MW962.35 g/mol
LogP7.81
Rot. Bonds4

About carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane

carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane (PubChem CID 134889957) has the molecular formula C29H31Au2IP2-4 and a molecular weight of 962.35 g/mol. Its IUPAC name is carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane.

Molecular Properties

Compound Namecarbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane
PubChem CID134889957
Molecular FormulaC29H31Au2IP2-4
Molecular Weight962.35 g/mol
Exact Mass962.03
IUPAC Namecarbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane
SMILES[Au].[Au].[CH2-]P([CH2-])(I)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH3-]
InChIInChI=1S/C14H14IP.C14H14P.CH3.2Au/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;;;/h3-12H,1-2H2;3-12H,1-2H2;1H3;;/q-2;2*-1;;
InChIKeySAXDULJMYOLQML-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.35
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)
CID 135046201
acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold
CID 134901334
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;1,3,5-trifluorobenzene-6-ide
CID 134901253
[dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide
CID 134901330
[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane
CID 134901255
iodo-(1-iodoethyl)-triphenyl-λ5-phosphane
CID 134886738
[methyl(triphenyl)-λ5-phosphanyl]-triphenylphosphanium;hydroiodide
CID 173126694
dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))
CID 135082659
bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold
CID 134901694
3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol
CID 15266450
N,N-diethyl-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-amine
CID 14323061

Frequently Asked Questions

What is the IUPAC name of carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane?
The IUPAC name of carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane (CID 134889957) is carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane.
What is the SMILES notation for carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane?
The canonical SMILES for carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane is [Au].[Au].[CH2-]P([CH2-])(I)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH3-].
What is the InChIKey of carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane?
The InChIKey is SAXDULJMYOLQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IP.C14H14P.CH3.2Au/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;;;/h3-12H,1-2H2;3-12H,1-2H2;1H3;;/q-2;2*-1;;.
What are the key properties of carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane?
carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane has a molecular weight of 962.35 g/mol, XLogP of 7.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane is sourced from PubChem (CID 134889957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).