1-[bis(phenylselanyl)methyl]-4-methylbenzene

C20H18Se2 — CID 86034918

IUPAC1-[bis(phenylselanyl)methyl]-4-methylbenzene
SMILESCc1ccc(C([Se]c2ccccc2)[Se]c2ccccc2)cc1
InChIInChI=1S/C20H18Se2/c1-16-12-14-17(15-13-16)20(21-18-8-4-2-5-9-18)22-19-10-6-3-7-11-19/h2-15,20H,1H3
InChIKeyHPYILIIJIBYTFD-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.05
Rot. Bonds5

About 1-[bis(phenylselanyl)methyl]-4-methylbenzene

1-[bis(phenylselanyl)methyl]-4-methylbenzene (PubChem CID 86034918) has the molecular formula C20H18Se2 and a molecular weight of 416.28 g/mol. Its IUPAC name is 1-[bis(phenylselanyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[bis(phenylselanyl)methyl]-4-methylbenzene
PubChem CID86034918
Molecular FormulaC20H18Se2
Molecular Weight416.28 g/mol
Exact Mass417.97
IUPAC Name1-[bis(phenylselanyl)methyl]-4-methylbenzene
SMILESCc1ccc(C([Se]c2ccccc2)[Se]c2ccccc2)cc1
InChIInChI=1S/C20H18Se2/c1-16-12-14-17(15-13-16)20(21-18-8-4-2-5-9-18)22-19-10-6-3-7-11-19/h2-15,20H,1H3
InChIKeyHPYILIIJIBYTFD-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.05
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 1-[bis(phenylselanyl)methyl]-4-methylbenzene?
The IUPAC name of 1-[bis(phenylselanyl)methyl]-4-methylbenzene (CID 86034918) is 1-[bis(phenylselanyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-[bis(phenylselanyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-[bis(phenylselanyl)methyl]-4-methylbenzene is Cc1ccc(C([Se]c2ccccc2)[Se]c2ccccc2)cc1.
What is the InChIKey of 1-[bis(phenylselanyl)methyl]-4-methylbenzene?
The InChIKey is HPYILIIJIBYTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Se2/c1-16-12-14-17(15-13-16)20(21-18-8-4-2-5-9-18)22-19-10-6-3-7-11-19/h2-15,20H,1H3.
What are the key properties of 1-[bis(phenylselanyl)methyl]-4-methylbenzene?
1-[bis(phenylselanyl)methyl]-4-methylbenzene has a molecular weight of 416.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(phenylselanyl)methyl]-4-methylbenzene is sourced from PubChem (CID 86034918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).