4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene

C28H26Se — CID 173276275

IUPAC4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene
SMILESCc1ccc(Cc2ccccc2)cc1[Se]c1cc(Cc2ccccc2)ccc1C
InChIInChI=1S/C28H26Se/c1-21-13-15-25(17-23-9-5-3-6-10-23)19-27(21)29-28-20-26(16-14-22(28)2)18-24-11-7-4-8-12-24/h3-16,19-20H,17-18H2,1-2H3
InChIKeyRDPCAXLXMAQHLB-UHFFFAOYSA-N
MW441.48 g/mol
LogP5.14
Rot. Bonds6

About 4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene

4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene (PubChem CID 173276275) has the molecular formula C28H26Se and a molecular weight of 441.48 g/mol. Its IUPAC name is 4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene.

Molecular Properties

Compound Name4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene
PubChem CID173276275
Molecular FormulaC28H26Se
Molecular Weight441.48 g/mol
Exact Mass442.12
IUPAC Name4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene
SMILESCc1ccc(Cc2ccccc2)cc1[Se]c1cc(Cc2ccccc2)ccc1C
InChIInChI=1S/C28H26Se/c1-21-13-15-25(17-23-9-5-3-6-10-23)19-27(21)29-28-20-26(16-14-22(28)2)18-24-11-7-4-8-12-24/h3-16,19-20H,17-18H2,1-2H3
InChIKeyRDPCAXLXMAQHLB-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.48
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene?
The IUPAC name of 4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene (CID 173276275) is 4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene.
What is the SMILES notation for 4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene?
The canonical SMILES for 4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene is Cc1ccc(Cc2ccccc2)cc1[Se]c1cc(Cc2ccccc2)ccc1C.
What is the InChIKey of 4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene?
The InChIKey is RDPCAXLXMAQHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Se/c1-21-13-15-25(17-23-9-5-3-6-10-23)19-27(21)29-28-20-26(16-14-22(28)2)18-24-11-7-4-8-12-24/h3-16,19-20H,17-18H2,1-2H3.
What are the key properties of 4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene?
4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene has a molecular weight of 441.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(5-benzyl-2-methylphenyl)selanyl-1-methylbenzene is sourced from PubChem (CID 173276275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).