5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine

C20H19O2PSSi — CID 14274425

IUPAC5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine
SMILESC[Si]1(c2ccccc2)c2ccccc2OP(C)(=S)Oc2ccccc21
InChIInChI=1S/C20H19O2PSSi/c1-23(24)21-17-12-6-8-14-19(17)25(2,16-10-4-3-5-11-16)20-15-9-7-13-18(20)22-23/h3-15H,1-2H3
InChIKeyKCTGHFGXBJJIAA-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.50
Rot. Bonds1

About 5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine

5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine (PubChem CID 14274425) has the molecular formula C20H19O2PSSi and a molecular weight of 382.50 g/mol. Its IUPAC name is 5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine.

Molecular Properties

Compound Name5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine
PubChem CID14274425
Molecular FormulaC20H19O2PSSi
Molecular Weight382.50 g/mol
Exact Mass382.06
IUPAC Name5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine
SMILESC[Si]1(c2ccccc2)c2ccccc2OP(C)(=S)Oc2ccccc21
InChIInChI=1S/C20H19O2PSSi/c1-23(24)21-17-12-6-8-14-19(17)25(2,16-10-4-3-5-11-16)20-15-9-7-13-18(20)22-23/h3-15H,1-2H3
InChIKeyKCTGHFGXBJJIAA-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine?
The IUPAC name of 5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine (CID 14274425) is 5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine.
What is the SMILES notation for 5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine?
The canonical SMILES for 5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine is C[Si]1(c2ccccc2)c2ccccc2OP(C)(=S)Oc2ccccc21.
What is the InChIKey of 5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine?
The InChIKey is KCTGHFGXBJJIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O2PSSi/c1-23(24)21-17-12-6-8-14-19(17)25(2,16-10-4-3-5-11-16)20-15-9-7-13-18(20)22-23/h3-15H,1-2H3.
What are the key properties of 5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine?
5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine has a molecular weight of 382.50 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-5-phenyl-11-sulfanylidenebenzo[d][1,3,2,6]benzodioxaphosphasilocine is sourced from PubChem (CID 14274425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).