chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite

C27H39AuClFNO2PS — CID 178116944

IUPACchlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.COc1c[c-]ccc1OSF.Cl[Au]
InChIInChI=1S/C20H32NP.C7H6FO2S.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;1-9-6-4-2-3-5-7(6)10-11-8;;/h9-10,15-18H,3-8,11-14H2,1-2H3;3-5H,1H3;;1H/q;-1;+1;
InChIKeyYHTQFJZQHVYTIV-UHFFFAOYSA-N
MW724.07 g/mol
LogP8.35
Rot. Bonds7

About chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite

chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite (PubChem CID 178116944) has the molecular formula C27H39AuClFNO2PS and a molecular weight of 724.07 g/mol. Its IUPAC name is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite.

Molecular Properties

Compound Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite
PubChem CID178116944
Molecular FormulaC27H39AuClFNO2PS
Molecular Weight724.07 g/mol
Exact Mass723.18
IUPAC Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.COc1c[c-]ccc1OSF.Cl[Au]
InChIInChI=1S/C20H32NP.C7H6FO2S.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;1-9-6-4-2-3-5-7(6)10-11-8;;/h9-10,15-18H,3-8,11-14H2,1-2H3;3-5H,1H3;;1H/q;-1;+1;
InChIKeyYHTQFJZQHVYTIV-UHFFFAOYSA-N
XLogP8.35
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.07
LogP ≤ 58.35
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'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite 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;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite?
The IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite (CID 178116944) is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite.
What is the SMILES notation for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite?
The canonical SMILES for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite is CN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.COc1c[c-]ccc1OSF.Cl[Au].
What is the InChIKey of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite?
The InChIKey is YHTQFJZQHVYTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32NP.C7H6FO2S.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;1-9-6-4-2-3-5-7(6)10-11-8;;/h9-10,15-18H,3-8,11-14H2,1-2H3;3-5H,1H3;;1H/q;-1;+1;.
What are the key properties of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite?
chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite has a molecular weight of 724.07 g/mol, XLogP of 8.35, 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;(2-methoxybenzene-4-id-1-yl)oxy thiohypofluorite is sourced from PubChem (CID 178116944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).