chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide

C25H36AuClFN2O2PS — CID 178116909

IUPACchlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(F)Oc1cc[c-]nc1
InChIInChI=1S/C20H32NP.C5H3FNO2S.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;6-10(8)9-5-2-1-3-7-4-5;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1-2,4H;;1H/q;-1;+1;
InChIKeyDVWOTDGYMNXUAD-UHFFFAOYSA-N
MW711.03 g/mol
LogP6.75
Rot. Bonds6

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

chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide (PubChem CID 178116909) has the molecular formula C25H36AuClFN2O2PS and a molecular weight of 711.03 g/mol. Its IUPAC name is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide.

Molecular Properties

Compound Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide
PubChem CID178116909
Molecular FormulaC25H36AuClFN2O2PS
Molecular Weight711.03 g/mol
Exact Mass710.16
IUPAC Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(F)Oc1cc[c-]nc1
InChIInChI=1S/C20H32NP.C5H3FNO2S.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;6-10(8)9-5-2-1-3-7-4-5;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1-2,4H;;1H/q;-1;+1;
InChIKeyDVWOTDGYMNXUAD-UHFFFAOYSA-N
XLogP6.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.03
LogP ≤ 56.75
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'}

Analyze chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide?
The IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide (CID 178116909) is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide.
What is the SMILES notation for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide?
The canonical SMILES for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide is CN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].O=S(F)Oc1cc[c-]nc1.
What is the InChIKey of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide?
The InChIKey is DVWOTDGYMNXUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32NP.C5H3FNO2S.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;6-10(8)9-5-2-1-3-7-4-5;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1-2,4H;;1H/q;-1;+1;.
What are the key properties of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide?
chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;5-fluorosulfinyloxy-2H-pyridin-2-ide has a molecular weight of 711.03 g/mol, XLogP of 6.75, 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;5-fluorosulfinyloxy-2H-pyridin-2-ide is sourced from PubChem (CID 178116909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).