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

C52H43AsAu2ClF5O4P2-4 — CID 134901255

IUPAC[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane
SMILESFc1[c-]c(F)c(F)c(F)c1F.[Au].[Au].[CH2-]P([CH2-])(O[Cl+3]([O-])([O-])[O-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15As.C14H14ClO4P.C14H14P.C6F5.2Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-20(2,19-15(16,17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;7-2-1-3(8)5(10)6(11)4(2)9;;/h1-15H;3-12H,1-2H2;3-12H,1-2H2;;;/q;-2;2*-1;;
InChIKeyKMNCHRLZSLGRAS-UHFFFAOYSA-N
MW1393.16 g/mol
LogP7.22
Rot. Bonds9

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

[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane (PubChem CID 134901255) has the molecular formula C52H43AsAu2ClF5O4P2-4 and a molecular weight of 1393.16 g/mol. Its IUPAC name is [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane.

Molecular Properties

Compound Name[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane
PubChem CID134901255
Molecular FormulaC52H43AsAu2ClF5O4P2-4
Molecular Weight1393.16 g/mol
Exact Mass1392.08
IUPAC Name[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane
SMILESFc1[c-]c(F)c(F)c(F)c1F.[Au].[Au].[CH2-]P([CH2-])(O[Cl+3]([O-])([O-])[O-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15As.C14H14ClO4P.C14H14P.C6F5.2Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-20(2,19-15(16,17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;7-2-1-3(8)5(10)6(11)4(2)9;;/h1-15H;3-12H,1-2H2;3-12H,1-2H2;;;/q;-2;2*-1;;
InChIKeyKMNCHRLZSLGRAS-UHFFFAOYSA-N
XLogP7.22
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001393.16
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide
CID 134901253
carbanide;bis(dimethanidyl(diphenyl)phosphanium);gold;gold(3+);bis(1,2,3,4,5-pentafluorobenzene-6-ide)
CID 134901244
carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane
CID 134889957
carbon monoxide;iridium;1,2,3,4,5-pentafluorobenzene-6-ide;bis(triphenylphosphane)
CID 135047757
acetonitrile;bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold
CID 134901334
CID 135082204
CID 135082204
nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene
CID 87365885
bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone
CID 134901974
palladium;bis(triphenylarsane)
CID 10919635
carbon monoxide;molybdenum;tris(triphenylarsane)
CID 134902628
dimethyl(diphenyl)phosphanium perchlorate
CID 71333893
carbanide;1,2,3,4,5-pentafluorobenzene-6-ide;yttrium
CID 59920259

Frequently Asked Questions

What is the IUPAC name of [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane?
The IUPAC name of [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane (CID 134901255) is [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane.
What is the SMILES notation for [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane?
The canonical SMILES for [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane is Fc1[c-]c(F)c(F)c(F)c1F.[Au].[Au].[CH2-]P([CH2-])(O[Cl+3]([O-])([O-])[O-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane?
The InChIKey is KMNCHRLZSLGRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15As.C14H14ClO4P.C14H14P.C6F5.2Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-20(2,19-15(16,17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;7-2-1-3(8)5(10)6(11)4(2)9;;/h1-15H;3-12H,1-2H2;3-12H,1-2H2;;;/q;-2;2*-1;;.
What are the key properties of [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane?
[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane has a molecular weight of 1393.16 g/mol, XLogP of 7.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane is sourced from PubChem (CID 134901255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).