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

Name: Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₆H₃₇AuClFNO₃PS — CID 178116958

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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

SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(=O)(F)Oc1c[c-]ccc1

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;1-2,4-5H;;1H/q;-1;+1;

InChIKeyUNSHJTICWYKFML-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 178116958) 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 Name	Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene
PubChem CID	178116958
Molecular Formula	C₂₆H₃₇AuClFNO₃PS
Molecular Weight	726.04 g/mol
Exact Mass	725.16
IUPAC Name	chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene
SMILES	CN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(=O)(F)Oc1c[c-]ccc1
InChI	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;1-2,4-5H;;1H/q;-1;+1;
InChIKey	UNSHJTICWYKFML-UHFFFAOYSA-N
XLogP	7.02
TPSA	46.61 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.04
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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 178116958) 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)Oc1c[c-]ccc1.

What is the InChIKey of Chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;fluorosulfonyloxybenzene?

The InChIKey is UNSHJTICWYKFML-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;1-2,4-5H;;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 178116958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 178116958 — identifiers, structure, computed properties (public domain)

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