6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine

C18H13O2PSe — CID 23584961

IUPAC6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine
SMILES[Se]=P1(c2ccccc2)Oc2ccccc2-c2ccccc2O1
InChIInChI=1S/C18H13O2PSe/c22-21(14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20-21/h1-13H
InChIKeyWDHCSPBCEYWQKB-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.38
Rot. Bonds1

About 6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine

6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 23584961) has the molecular formula C18H13O2PSe and a molecular weight of 371.23 g/mol. Its IUPAC name is 6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID23584961
Molecular FormulaC18H13O2PSe
Molecular Weight371.23 g/mol
Exact Mass371.98
IUPAC Name6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine
SMILES[Se]=P1(c2ccccc2)Oc2ccccc2-c2ccccc2O1
InChIInChI=1S/C18H13O2PSe/c22-21(14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20-21/h1-13H
InChIKeyWDHCSPBCEYWQKB-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenyl cresyl phosphate
CID 520263
o-Cresyl phosphate
CID 6527
Tris(nonylphenyl)phosphite
CID 76452
Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester
CID 158333
Bis(isopropylphenyl) phenyl phosphate
CID 34149
Tris(2,6-xylenyl)phosphate
CID 8460
Isopropylphenyl diphenyl phosphate
CID 34148
Tris(isopropylphenyl)phosphate
CID 33661
Phosphoric acid, (1,1'-biphenyl)-2-yl diphenyl ester
CID 67234
Bis(t-butylphenyl) phenyl phosphate
CID 47696
Tri-o-cresyl phosphite
CID 92937
Phenol, 2-ethyl-, phosphate (3:1)
CID 77467

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine (CID 23584961) is 6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine is [Se]=P1(c2ccccc2)Oc2ccccc2-c2ccccc2O1.
What is the InChIKey of 6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is WDHCSPBCEYWQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13O2PSe/c22-21(14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20-21/h1-13H.
What are the key properties of 6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine?
6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 371.23 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-6-selanylidenebenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 23584961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).