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

C26H37AuClFNO3PS — CID 178116951

IUPACchlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(=O)(F)Oc1[c-]cccc1
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;1-4H;;1H/q;-1;+1;
InChIKeyNJALWBSRPPOZNE-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 178116951) 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 CID178116951
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)Oc1[c-]cccc1
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;1-4H;;1H/q;-1;+1;
InChIKeyNJALWBSRPPOZNE-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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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 178116951) 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)Oc1[c-]cccc1.
What is the InChIKey of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene?
The InChIKey is NJALWBSRPPOZNE-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;1-4H;;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 178116951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).