3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol

C26H22OSe3 — CID 11017381

IUPAC3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol
SMILESCc1c([Se]c2ccccc2)c(C)c([Se]c2ccccc2)c(O)c1[Se]c1ccccc1
InChIInChI=1S/C26H22OSe3/c1-18-24(28-20-12-6-3-7-13-20)19(2)26(30-22-16-10-5-11-17-22)23(27)25(18)29-21-14-8-4-9-15-21/h3-17,27H,1-2H3
InChIKeyCEDUBTIPTXGWJX-UHFFFAOYSA-N
MW587.34 g/mol
LogP0.97
Rot. Bonds6

About 3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol

3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol (PubChem CID 11017381) has the molecular formula C26H22OSe3 and a molecular weight of 587.34 g/mol. Its IUPAC name is 3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol.

Molecular Properties

Compound Name3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol
PubChem CID11017381
Molecular FormulaC26H22OSe3
Molecular Weight587.34 g/mol
Exact Mass589.92
IUPAC Name3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol
SMILESCc1c([Se]c2ccccc2)c(C)c([Se]c2ccccc2)c(O)c1[Se]c1ccccc1
InChIInChI=1S/C26H22OSe3/c1-18-24(28-20-12-6-3-7-13-20)19(2)26(30-22-16-10-5-11-17-22)23(27)25(18)29-21-14-8-4-9-15-21/h3-17,27H,1-2H3
InChIKeyCEDUBTIPTXGWJX-UHFFFAOYSA-N
XLogP0.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol 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

3,5-dimethyl-4-phenylselanylphenol
CID 10912804
3-methyl-2,4,5-tris(phenylselanyl)thiophene
CID 10907859
phenylselanylbenzene;dihydrochloride
CID 173104242
phenylselanylbenzene;dihydrochloride
CID 87206847
1,2,3,4,5-pentafluoro-6-phenylselanylbenzene
CID 12721561
2-methyl-3-phenylselanyl-1H-indole
CID 12843402
1-phenylselanylnaphthalen-2-ol
CID 12698118
formaldehyde;phenylselanylbenzene
CID 174430151
hydrogen peroxide;(phenyldiselanyl)benzene
CID 161157023
2,4-bis(phenylselanyl)phenol
CID 10883965
4-methyl-6-methylsulfanyl-5-phenylselanylpyrimidin-2-amine
CID 122370963
2-methylbenzene-1,3-diol;phenol
CID 161016987

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol?
The IUPAC name of 3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol (CID 11017381) is 3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol.
What is the SMILES notation for 3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol?
The canonical SMILES for 3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol is Cc1c([Se]c2ccccc2)c(C)c([Se]c2ccccc2)c(O)c1[Se]c1ccccc1.
What is the InChIKey of 3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol?
The InChIKey is CEDUBTIPTXGWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22OSe3/c1-18-24(28-20-12-6-3-7-13-20)19(2)26(30-22-16-10-5-11-17-22)23(27)25(18)29-21-14-8-4-9-15-21/h3-17,27H,1-2H3.
What are the key properties of 3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol?
3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol has a molecular weight of 587.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,4,6-tris(phenylselanyl)phenol is sourced from PubChem (CID 11017381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).