carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)

C29H31Au2I2P2-2 — CID 135046201

IUPACcarbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)
SMILES[Au+3].[Au].[CH2-]P([CH2-])(I)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(I)(c1ccccc1)c1ccccc1.[CH3-]
InChIInChI=1S/2C14H14IP.CH3.2Au/c2*1-16(2,15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;/h2*3-12H,1-2H2;1H3;;/q2*-2;-1;;+3
InChIKeyMHAPUBXXXXOHEH-UHFFFAOYSA-N
MW1089.26 g/mol
LogP8.69
Rot. Bonds4

About carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)

carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane) (PubChem CID 135046201) has the molecular formula C29H31Au2I2P2-2 and a molecular weight of 1089.26 g/mol. Its IUPAC name is carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane).

Molecular Properties

Compound Namecarbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)
PubChem CID135046201
Molecular FormulaC29H31Au2I2P2-2
Molecular Weight1089.26 g/mol
Exact Mass1088.93
IUPAC Namecarbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)
SMILES[Au+3].[Au].[CH2-]P([CH2-])(I)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(I)(c1ccccc1)c1ccccc1.[CH3-]
InChIInChI=1S/2C14H14IP.CH3.2Au/c2*1-16(2,15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;/h2*3-12H,1-2H2;1H3;;/q2*-2;-1;;+3
InChIKeyMHAPUBXXXXOHEH-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.26
LogP ≤ 58.69
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;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane
CID 134889957
bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold
CID 134901694
carbanide;bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold;gold(3+)
CID 134901873
ethane;trihydroxy(diphenyl)-λ5-phosphane
CID 159842008
iodo-(1-iodoethyl)-triphenyl-λ5-phosphane
CID 134886738
2-[iodo(triphenyl)-λ5-phosphanyl]-4-methylphenol
CID 175593088
tris(antimony(3+));tris(trioxido(diphenyl)-λ5-phosphane)
CID 158103427
tetraphenyl-[2-(tetraphenyl-λ5-phosphanyl)ethyl]-λ5-phosphane
CID 175110521
CID 71339905
CID 71339905
N-[iodo(triphenyl)-λ5-phosphanyl]-N,2-dimethylpropan-2-amine
CID 134884379
3-[iodo(triphenyl)-lambda5-phosphanyl]propan-1-ol
CID 15266450
bis([dimethanidyl(diphenyl)-λ5-phosphanyl] N,N-dimethylcarbamodithioate);gold
CID 134901207

Frequently Asked Questions

What is the IUPAC name of carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)?
The IUPAC name of carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane) (CID 135046201) is carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane).
What is the SMILES notation for carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)?
The canonical SMILES for carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane) is [Au+3].[Au].[CH2-]P([CH2-])(I)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])(I)(c1ccccc1)c1ccccc1.[CH3-].
What is the InChIKey of carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)?
The InChIKey is MHAPUBXXXXOHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14IP.CH3.2Au/c2*1-16(2,15,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;/h2*3-12H,1-2H2;1H3;;/q2*-2;-1;;+3.
What are the key properties of carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane)?
carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane) has a molecular weight of 1089.26 g/mol, XLogP of 8.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;gold;gold(3+);bis(iodo-dimethanidyl-diphenyl-λ5-phosphane) is sourced from PubChem (CID 135046201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).