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

C27H36AuClFN2OPS — CID 178116997

IUPACchlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].N#Cc1c[c-]ccc1OSF
InChIInChI=1S/C20H32NP.C7H3FNOS.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;8-11-10-7-4-2-1-3-6(7)5-9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;2-4H;;1H/q;-1;+1;
InChIKeyZBFGMAKYAGATKE-UHFFFAOYSA-N
MW719.06 g/mol
LogP8.21
Rot. Bonds6

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

chlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium (PubChem CID 178116997) has the molecular formula C27H36AuClFN2OPS and a molecular weight of 719.06 g/mol. Its IUPAC name is chlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium.

Molecular Properties

Compound Namechlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium
PubChem CID178116997
Molecular FormulaC27H36AuClFN2OPS
Molecular Weight719.06 g/mol
Exact Mass718.16
IUPAC Namechlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].N#Cc1c[c-]ccc1OSF
InChIInChI=1S/C20H32NP.C7H3FNOS.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;8-11-10-7-4-2-1-3-6(7)5-9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;2-4H;;1H/q;-1;+1;
InChIKeyZBFGMAKYAGATKE-UHFFFAOYSA-N
XLogP8.21
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.06
LogP ≤ 58.21
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'}

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Frequently Asked Questions

What is the IUPAC name of chlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium?
The IUPAC name of chlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium (CID 178116997) is chlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium.
What is the SMILES notation for chlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium?
The canonical SMILES for chlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium is CN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.Cl[Au].N#Cc1c[c-]ccc1OSF.
What is the InChIKey of chlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium?
The InChIKey is ZBFGMAKYAGATKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32NP.C7H3FNOS.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;8-11-10-7-4-2-1-3-6(7)5-9;;/h9-10,15-18H,3-8,11-14H2,1-2H3;2-4H;;1H/q;-1;+1;.
What are the key properties of chlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium?
chlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium has a molecular weight of 719.06 g/mol, XLogP of 8.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorogold;(2-cyanobenzene-4-id-1-yl)oxy thiohypofluorite;dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium is sourced from PubChem (CID 178116997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).