chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene

C26H37AuClFNO3PS — CID 178116965

IUPACchlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(=O)(F)Oc1cc[c-]cc1
InChIInChI=1S/C20H32NP.C6H4FO3S.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;7-11(8,9)10-6-4-2-1-3-5-6;;/h9-10,15-18H,3-8,11-14H2,1-2H3;2-5H;;1H/q;-1;+1;
InChIKeyZTIXLCLAKXZDNX-UHFFFAOYSA-N
MW726.04 g/mol
LogP7.02
Rot. Bonds6

About chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene

chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene (PubChem CID 178116965) has the molecular formula C26H37AuClFNO3PS and a molecular weight of 726.04 g/mol. Its IUPAC name is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene.

Molecular Properties

Compound Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene
PubChem CID178116965
Molecular FormulaC26H37AuClFNO3PS
Molecular Weight726.04 g/mol
Exact Mass725.16
IUPAC Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(=O)(F)Oc1cc[c-]cc1
InChIInChI=1S/C20H32NP.C6H4FO3S.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;7-11(8,9)10-6-4-2-1-3-5-6;;/h9-10,15-18H,3-8,11-14H2,1-2H3;2-5H;;1H/q;-1;+1;
InChIKeyZTIXLCLAKXZDNX-UHFFFAOYSA-N
XLogP7.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.04
LogP ≤ 57.02
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

chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluoro-2-fluorosulfinyloxybenzene-6-ide
CID 178116893
chlorogold;[2-(dimethylamino)phenyl]-dimethylphosphanium
CID 176723278
methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate
CID 61060789
chlorogold;2-dicyclohexylphosphanyl-N,N-dimethylaniline;[3-(phenoxy)phenoxy] thiohypofluorite
CID 178117071
dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;methylbenzene;palladium(2+)
CID 160619038
dicyclohexyl-[2-[2-(dimethylamino)phenyl]phenyl]phosphanium;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methyl-6-propan-2-yloxyphenyl)phenyl]phosphanium;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;methane;methanesulfonic acid;bis(palladium(2+));bis(2-phenylaniline)
CID 158728851
1-[2-chloro-6-(dimethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117452732
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
phenyl N-cyclohexyl-N-phenoxysulfonylsulfamate
CID 56986396
N-(2-chloroethyl)-N-cyclohexyl-2-ethylsulfonylaniline
CID 63388274
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190
benzyl 2-(dimethylamino)benzoate
CID 58143131

Frequently Asked Questions

What is the IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene?
The IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene (CID 178116965) is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene.
What is the SMILES notation for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene?
The canonical SMILES for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene is CN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(=O)(F)Oc1cc[c-]cc1.
What is the InChIKey of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene?
The InChIKey is ZTIXLCLAKXZDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32NP.C6H4FO3S.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;7-11(8,9)10-6-4-2-1-3-5-6;;/h9-10,15-18H,3-8,11-14H2,1-2H3;2-5H;;1H/q;-1;+1;.
What are the key properties of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene?
chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene has a molecular weight of 726.04 g/mol, XLogP of 7.02, 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;fluorosulfonyloxybenzene is sourced from PubChem (CID 178116965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).