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

C26H36AuF2NOPS — CID 178116947

IUPACdicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.FSOc1c[c-]ccc1F.[Au]
InChIInChI=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
InChIKeyBYQZXAGVQNNSFJ-UHFFFAOYSA-O
MW676.58 g/mol
LogP7.79
Rot. Bonds6

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 Namedicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold
PubChem CID178116947
Molecular FormulaC26H36AuF2NOPS
Molecular Weight676.58 g/mol
Exact Mass676.19
IUPAC Namedicyclohexyl-[2-(dimethylamino)phenyl]phosphanium;(2-fluorobenzene-5-id-1-yl)oxy thiohypofluorite;gold
SMILESCN(C)c1ccccc1[PH+](C1CCCCC1)C1CCCCC1.FSOc1c[c-]ccc1F.[Au]
InChIInChI=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
InChIKeyBYQZXAGVQNNSFJ-UHFFFAOYSA-O
XLogP7.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.58
LogP ≤ 57.79
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 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).