[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide

C34H30Au2ClF3O4P2-4 — CID 134901253

IUPAC[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide
SMILESFc1[c-]c(F)cc(F)c1.[Au].[Au].[CH2-]P([CH2-])(O[Cl+3]([O-])([O-])[O-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14ClO4P.C14H14P.C6H2F3.2Au/c1-20(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;7-4-1-5(8)3-6(9)2-4;;/h3-12H,1-2H2;3-12H,1-2H2;1-2H;;/q-2;2*-1;;
InChIKeySBZSPVYRNAHCST-UHFFFAOYSA-N
MW1050.94 g/mol
LogP4.74
Rot. Bonds6

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

[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide (PubChem CID 134901253) has the molecular formula C34H30Au2ClF3O4P2-4 and a molecular weight of 1050.94 g/mol. Its IUPAC name is [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide.

Molecular Properties

Compound Name[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide
PubChem CID134901253
Molecular FormulaC34H30Au2ClF3O4P2-4
Molecular Weight1050.94 g/mol
Exact Mass1050.06
IUPAC Name[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide
SMILESFc1[c-]c(F)cc(F)c1.[Au].[Au].[CH2-]P([CH2-])(O[Cl+3]([O-])([O-])[O-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14ClO4P.C14H14P.C6H2F3.2Au/c1-20(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;7-4-1-5(8)3-6(9)2-4;;/h3-12H,1-2H2;3-12H,1-2H2;1-2H;;/q-2;2*-1;;
InChIKeySBZSPVYRNAHCST-UHFFFAOYSA-N
XLogP4.74
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001050.94
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,2,3,4,5-pentafluorobenzene-6-ide;triphenylarsane
CID 134901255
carbanide;dimethanidyl(diphenyl)phosphanium;gold;iodo-dimethanidyl-diphenyl-λ5-phosphane
CID 134889957
carbanide;bis(dimethanidyl(diphenyl)phosphanium);gold;gold(3+);bis(1,2,3,4,5-pentafluorobenzene-6-ide)
CID 134901244
bromo-dimethanidyl-diphenyl-λ5-phosphane;dimethanidyl(diphenyl)phosphanium;gold;1-phenylethanone
CID 134901974
gold(1+);1,3,5-trifluorobenzene-6-ide;[triphenyl-[(triphenyl-λ5-phosphanylidene)amino]-λ5-phosphanyl] thiocyanate
CID 135083203
dimethyl(diphenyl)phosphanium perchlorate
CID 71333893
[(4-fluorophenyl)-diphenyl-λ4-sulfanyl] perchlorate
CID 87484643
dimethanidyl(diphenyl)phosphanium;diphenyl(pyridin-2-yl)phosphane;bis(gold(1+))
CID 135082659
[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(3,5-difluorophenyl)phosphane
CID 100994750
triphenyl(prop-2-enyl)phosphanium perchlorate
CID 21492296
1,3-difluoro-5-methylbenzene-6-ide;yttrium
CID 58665383
(3-hydroxyphenyl)-triphenylphosphanium perchlorate
CID 86077252

Frequently Asked Questions

What is the IUPAC name of [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide?
The IUPAC name of [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide (CID 134901253) is [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide.
What is the SMILES notation for [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide?
The canonical SMILES for [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide is Fc1[c-]c(F)cc(F)c1.[Au].[Au].[CH2-]P([CH2-])(O[Cl+3]([O-])([O-])[O-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.
What is the InChIKey of [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide?
The InChIKey is SBZSPVYRNAHCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClO4P.C14H14P.C6H2F3.2Au/c1-20(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;7-4-1-5(8)3-6(9)2-4;;/h3-12H,1-2H2;3-12H,1-2H2;1-2H;;/q-2;2*-1;;.
What are the key properties of [dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide?
[dimethanidyl(diphenyl)-λ5-phosphanyl] perchlorate;dimethanidyl(diphenyl)phosphanium;gold;1,3,5-trifluorobenzene-6-ide has a molecular weight of 1050.94 g/mol, XLogP of 4.74, 6 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;1,3,5-trifluorobenzene-6-ide is sourced from PubChem (CID 134901253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).