2-[bis(phenylselanyl)methylidene]-1,3-diselenole

C16H12Se4 — CID 14114702

IUPAC2-[bis(phenylselanyl)methylidene]-1,3-diselenole
SMILESC1=C[Se]C(=C([Se]c2ccccc2)[Se]c2ccccc2)[Se]1
InChIInChI=1S/C16H12Se4/c1-3-7-13(8-4-1)19-16(15-17-11-12-18-15)20-14-9-5-2-6-10-14/h1-12H
InChIKeyJWKXEENAUKJWSR-UHFFFAOYSA-N
MW520.11 g/mol
LogP1.07
Rot. Bonds4

About 2-[bis(phenylselanyl)methylidene]-1,3-diselenole

2-[bis(phenylselanyl)methylidene]-1,3-diselenole (PubChem CID 14114702) has the molecular formula C16H12Se4 and a molecular weight of 520.11 g/mol. Its IUPAC name is 2-[bis(phenylselanyl)methylidene]-1,3-diselenole.

Molecular Properties

Compound Name2-[bis(phenylselanyl)methylidene]-1,3-diselenole
PubChem CID14114702
Molecular FormulaC16H12Se4
Molecular Weight520.11 g/mol
Exact Mass523.76
IUPAC Name2-[bis(phenylselanyl)methylidene]-1,3-diselenole
SMILESC1=C[Se]C(=C([Se]c2ccccc2)[Se]c2ccccc2)[Se]1
InChIInChI=1S/C16H12Se4/c1-3-7-13(8-4-1)19-16(15-17-11-12-18-15)20-14-9-5-2-6-10-14/h1-12H
InChIKeyJWKXEENAUKJWSR-UHFFFAOYSA-N
XLogP1.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.11
LogP ≤ 51.07
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 2-[bis(phenylselanyl)methylidene]-1,3-diselenole?
The IUPAC name of 2-[bis(phenylselanyl)methylidene]-1,3-diselenole (CID 14114702) is 2-[bis(phenylselanyl)methylidene]-1,3-diselenole.
What is the SMILES notation for 2-[bis(phenylselanyl)methylidene]-1,3-diselenole?
The canonical SMILES for 2-[bis(phenylselanyl)methylidene]-1,3-diselenole is C1=C[Se]C(=C([Se]c2ccccc2)[Se]c2ccccc2)[Se]1.
What is the InChIKey of 2-[bis(phenylselanyl)methylidene]-1,3-diselenole?
The InChIKey is JWKXEENAUKJWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Se4/c1-3-7-13(8-4-1)19-16(15-17-11-12-18-15)20-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2-[bis(phenylselanyl)methylidene]-1,3-diselenole?
2-[bis(phenylselanyl)methylidene]-1,3-diselenole has a molecular weight of 520.11 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(phenylselanyl)methylidene]-1,3-diselenole is sourced from PubChem (CID 14114702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).