chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide

C27H38AuClF2NO3PS — CID 178116888

IUPACchlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cc1[c-]cc(OS(=O)(=O)F)c(F)c1.Cl[Au]
InChIInChI=1S/C20H32NP.C7H5F2O3S.Au.ClH/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-5-2-3-7(6(8)4-5)12-13(9,10)11;;/h9-10,15-18H,3-8,11-14H2,1-2H3;3-4H,1H3;;1H/q;-1;+1;
InChIKeyYOHYPZVHISCTSM-UHFFFAOYSA-N
MW758.06 g/mol
LogP7.47
Rot. Bonds6

About chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide

chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide (PubChem CID 178116888) has the molecular formula C27H38AuClF2NO3PS and a molecular weight of 758.06 g/mol. Its IUPAC name is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide.

Molecular Properties

Compound Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide
PubChem CID178116888
Molecular FormulaC27H38AuClF2NO3PS
Molecular Weight758.06 g/mol
Exact Mass757.16
IUPAC Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cc1[c-]cc(OS(=O)(=O)F)c(F)c1.Cl[Au]
InChIInChI=1S/C20H32NP.C7H5F2O3S.Au.ClH/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-5-2-3-7(6(8)4-5)12-13(9,10)11;;/h9-10,15-18H,3-8,11-14H2,1-2H3;3-4H,1H3;;1H/q;-1;+1;
InChIKeyYOHYPZVHISCTSM-UHFFFAOYSA-N
XLogP7.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.06
LogP ≤ 57.47
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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Frequently Asked Questions

What is the IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide?
The IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide (CID 178116888) is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide.
What is the SMILES notation for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide?
The canonical SMILES for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide is CN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cc1[c-]cc(OS(=O)(=O)F)c(F)c1.Cl[Au].
What is the InChIKey of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide?
The InChIKey is YOHYPZVHISCTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32NP.C7H5F2O3S.Au.ClH/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18;1-5-2-3-7(6(8)4-5)12-13(9,10)11;;/h9-10,15-18H,3-8,11-14H2,1-2H3;3-4H,1H3;;1H/q;-1;+1;.
What are the key properties of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide?
chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide has a molecular weight of 758.06 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;2-fluoro-1-fluorosulfonyloxy-4-methylbenzene-5-ide is sourced from PubChem (CID 178116888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).