3,5-diphenyl-1,2,4-triselenolane

C14H12Se3 — CID 102357069

IUPAC3,5-diphenyl-1,2,4-triselenolane
SMILESc1ccc(C2[Se][Se]C(c3ccccc3)[Se]2)cc1
InChIInChI=1S/C14H12Se3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyCTEAKTMLUZJDSC-UHFFFAOYSA-N
MW417.13 g/mol
LogP2.43
Rot. Bonds2

About 3,5-diphenyl-1,2,4-triselenolane

3,5-diphenyl-1,2,4-triselenolane (PubChem CID 102357069) has the molecular formula C14H12Se3 and a molecular weight of 417.13 g/mol. Its IUPAC name is 3,5-diphenyl-1,2,4-triselenolane.

Molecular Properties

Compound Name3,5-diphenyl-1,2,4-triselenolane
PubChem CID102357069
Molecular FormulaC14H12Se3
Molecular Weight417.13 g/mol
Exact Mass419.84
IUPAC Name3,5-diphenyl-1,2,4-triselenolane
SMILESc1ccc(C2[Se][Se]C(c3ccccc3)[Se]2)cc1
InChIInChI=1S/C14H12Se3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyCTEAKTMLUZJDSC-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.13
LogP ≤ 52.43
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 3,5-diphenyl-1,2,4-triselenolane?
The IUPAC name of 3,5-diphenyl-1,2,4-triselenolane (CID 102357069) is 3,5-diphenyl-1,2,4-triselenolane.
What is the SMILES notation for 3,5-diphenyl-1,2,4-triselenolane?
The canonical SMILES for 3,5-diphenyl-1,2,4-triselenolane is c1ccc(C2[Se][Se]C(c3ccccc3)[Se]2)cc1.
What is the InChIKey of 3,5-diphenyl-1,2,4-triselenolane?
The InChIKey is CTEAKTMLUZJDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Se3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10,13-14H.
What are the key properties of 3,5-diphenyl-1,2,4-triselenolane?
3,5-diphenyl-1,2,4-triselenolane has a molecular weight of 417.13 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1,2,4-triselenolane is sourced from PubChem (CID 102357069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).