1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene

C18H22Se2 — CID 522415

IUPAC1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene
SMILESCc1cc(C)c([Se][Se]c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C18H22Se2/c1-11-7-13(3)17(14(4)8-11)19-20-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
InChIKeyCCLBDRJGGUNRSE-UHFFFAOYSA-N
MW396.29 g/mol
LogP2.81
Rot. Bonds3

About 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene

1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene (PubChem CID 522415) has the molecular formula C18H22Se2 and a molecular weight of 396.29 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene
PubChem CID522415
Molecular FormulaC18H22Se2
Molecular Weight396.29 g/mol
Exact Mass398.01
IUPAC Name1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene
SMILESCc1cc(C)c([Se][Se]c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C18H22Se2/c1-11-7-13(3)17(14(4)8-11)19-20-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3
InChIKeyCCLBDRJGGUNRSE-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene (CID 522415) is 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene is Cc1cc(C)c([Se][Se]c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene?
The InChIKey is CCLBDRJGGUNRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Se2/c1-11-7-13(3)17(14(4)8-11)19-20-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3.
What are the key properties of 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene?
1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene has a molecular weight of 396.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene is sourced from PubChem (CID 522415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).