chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite

C26H35AuClF3NOPS — CID 178116949

IUPACchlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].FSOc1cc[c-]c(F)c1F
InChIInChI=1S/C20H32NP.C6H2F3OS.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;7-4-2-1-3-5(6(4)8)10-11-9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1,3H;;1H/q;-1;+1;
InChIKeyAUJUKDNJAKHAMR-UHFFFAOYSA-N
MW730.03 g/mol
LogP8.62
Rot. Bonds6

About chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite

chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite (PubChem CID 178116949) has the molecular formula C26H35AuClF3NOPS and a molecular weight of 730.03 g/mol. Its IUPAC name is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite.

Molecular Properties

Compound Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite
PubChem CID178116949
Molecular FormulaC26H35AuClF3NOPS
Molecular Weight730.03 g/mol
Exact Mass729.15
IUPAC Namechlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].FSOc1cc[c-]c(F)c1F
InChIInChI=1S/C20H32NP.C6H2F3OS.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;7-4-2-1-3-5(6(4)8)10-11-9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1,3H;;1H/q;-1;+1;
InChIKeyAUJUKDNJAKHAMR-UHFFFAOYSA-N
XLogP8.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.03
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite?
The IUPAC name of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite (CID 178116949) is chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite.
What is the SMILES notation for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite?
The canonical SMILES for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite is CN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].FSOc1cc[c-]c(F)c1F.
What is the InChIKey of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite?
The InChIKey is AUJUKDNJAKHAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32NP.C6H2F3OS.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;7-4-2-1-3-5(6(4)8)10-11-9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;1,3H;;1H/q;-1;+1;.
What are the key properties of chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite?
chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite has a molecular weight of 730.03 g/mol, XLogP of 8.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2,3-difluorobenzene-4-id-1-yl)oxy thiohypofluorite is sourced from PubChem (CID 178116949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).