chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide

C27H39AuClFNO3PS — CID 178116897

IUPACchlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.COc1cc[c-]cc1OS(=O)F.Cl[Au]
InChIInChI=1S/C20H32NP.C7H6FO3S.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;1-10-6-4-2-3-5-7(6)11-12(8)9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;2,4-5H,1H3;;1H/q;-1;+1;
InChIKeyBNDUXAQMYKIVRB-UHFFFAOYSA-N
MW740.07 g/mol
LogP7.37
Rot. Bonds7

About chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide

chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide (PubChem CID 178116897) has the molecular formula C27H39AuClFNO3PS and a molecular weight of 740.07 g/mol. Its IUPAC name is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide.

Molecular Properties

Compound Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide
PubChem CID178116897
Molecular FormulaC27H39AuClFNO3PS
Molecular Weight740.07 g/mol
Exact Mass739.17
IUPAC Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.COc1cc[c-]cc1OS(=O)F.Cl[Au]
InChIInChI=1S/C20H32NP.C7H6FO3S.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;1-10-6-4-2-3-5-7(6)11-12(8)9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;2,4-5H,1H3;;1H/q;-1;+1;
InChIKeyBNDUXAQMYKIVRB-UHFFFAOYSA-N
XLogP7.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.07
LogP ≤ 57.37
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;1-fluorosulfinyloxy-2-methoxybenzene-5-ide?
The IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide (CID 178116897) is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide.
What is the SMILES notation for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide?
The canonical SMILES for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide is CN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.COc1cc[c-]cc1OS(=O)F.Cl[Au].
What is the InChIKey of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide?
The InChIKey is BNDUXAQMYKIVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32NP.C7H6FO3S.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;1-10-6-4-2-3-5-7(6)11-12(8)9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;2,4-5H,1H3;;1H/q;-1;+1;.
What are the key properties of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide?
chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;1-fluorosulfinyloxy-2-methoxybenzene-5-ide has a molecular weight of 740.07 g/mol, XLogP of 7.37, 7 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;1-fluorosulfinyloxy-2-methoxybenzene-5-ide is sourced from PubChem (CID 178116897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).