[dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide

C36H31Au2F5O2P2-4 — CID 134901330

IUPAC[dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide
SMILESFc1[c-]c(F)c(F)c(F)c1F.[Au].[Au].[CH2-]P([CH2-])(OC(C)=O)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O2P.C14H14P.C6F5.2Au/c1-14(17)18-19(2,3,15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;7-2-1-3(8)5(10)6(11)4(2)9;;/h4-13H,2-3H2,1H3;3-12H,1-2H2;;;/q-2;2*-1;;
InChIKeyWYRKXVKEULAXGK-UHFFFAOYSA-N
MW1046.51 g/mol
LogP8.67
Rot. Bonds5

About [dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide

[dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide (PubChem CID 134901330) has the molecular formula C36H31Au2F5O2P2-4 and a molecular weight of 1046.51 g/mol. Its IUPAC name is [dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide.

Molecular Properties

Compound Name[dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide
PubChem CID134901330
Molecular FormulaC36H31Au2F5O2P2-4
Molecular Weight1046.51 g/mol
Exact Mass1046.11
IUPAC Name[dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide
SMILESFc1[c-]c(F)c(F)c(F)c1F.[Au].[Au].[CH2-]P([CH2-])(OC(C)=O)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O2P.C14H14P.C6F5.2Au/c1-14(17)18-19(2,3,15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;7-2-1-3(8)5(10)6(11)4(2)9;;/h4-13H,2-3H2,1H3;3-12H,1-2H2;;;/q-2;2*-1;;
InChIKeyWYRKXVKEULAXGK-UHFFFAOYSA-N
XLogP8.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001046.51
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane
CID 134901255
[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide
CID 134901253
(tetraphenyl-λ5-stibanyl) acetate
CID 16699436
benzhydryl acetate;hydrazine
CID 122610283
acetic acid;cumene
CID 172767405
(tetraphenyl-λ5-phosphanyl) 2-methylpropanoate
CID 170620114
CID 53446480
CID 53446480
2,4-dioxopentanoyloxy(triphenyl)phosphanium
CID 88635210
[(4-methylphenyl)-phenylmethyl] 2,3,4,5,6-pentafluorobenzoate
CID 71619878
[(2S)-3-[iodo(triphenyl)-λ5-phosphanyl]-2-methylpropyl] acetate
CID 134994831
methane;(2R)-2-phenylpropanoic acid
CID 162174165
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517

Frequently Asked Questions

What is the IUPAC name of [dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide?
The IUPAC name of [dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide (CID 134901330) is [dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide.
What is the SMILES notation for [dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide?
The canonical SMILES for [dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide is Fc1[c-]c(F)c(F)c(F)c1F.[Au].[Au].[CH2-]P([CH2-])(OC(C)=O)(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.
What is the InChIKey of [dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide?
The InChIKey is WYRKXVKEULAXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O2P.C14H14P.C6F5.2Au/c1-14(17)18-19(2,3,15-10-6-4-7-11-15)16-12-8-5-9-13-16;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;7-2-1-3(8)5(10)6(11)4(2)9;;/h4-13H,2-3H2,1H3;3-12H,1-2H2;;;/q-2;2*-1;;.
What are the key properties of [dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide?
[dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide has a molecular weight of 1046.51 g/mol, XLogP of 8.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethanidyl(diphenyl)-λ5-phosphanyl] acetate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide is sourced from PubChem (CID 134901330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).