Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold

C₂₆H₃₆AuF₂NOPS — CID 178116947

About Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold

Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold (PubChem CID 178116947) has the molecular formula C₂₆H₃₆AuF₂NOPS and a molecular weight of 676.58 g/mol. Its IUPAC name is dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold.

Molecular Properties

• Compound Name: Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold
• PubChem CID: 178116947
• Molecular Formula: C₂₆H₃₆AuF₂NOPS
• Molecular Weight: 676.58 g/mol
• Exact Mass: 676.19
• IUPAC Name: dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold
• SMILES: CN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.FSOc1c[c-]ccc1F.[Au]
• InChI: InChI=1S/C20H32NP.C6H3F2OS.Au/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;7-5-3-1-2-4-6(5)9-10-8;/h9-10,15-18H,3-8,11-14H2,1-2H3;1,3-4H;/q;-1;/p+1
• InChIKey: BYQZXAGVQNNSFJ-UHFFFAOYSA-O
• XLogP: 7.79
• TPSA: 12.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.58
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold?

The IUPAC name of Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold (CID 178116947) is dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold.

What is the SMILES notation for Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold?

The canonical SMILES for Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold is CN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.FSOc1c[c-]ccc1F.[Au].

What is the InChIKey of Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold?

The InChIKey is BYQZXAGVQNNSFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H32NP.C6H3F2OS.Au/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;7-5-3-1-2-4-6(5)9-10-8;/h9-10,15-18H,3-8,11-14H2,1-2H3;1,3-4H;/q;-1;/p+1.

What are the key properties of Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold?

Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold has a molecular weight of 676.58 g/mol, XLogP of 7.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Dicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold is sourced from PubChem (CID 178116947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 178116947 — identifiers, structure, computed properties (public domain)

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