3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene

C22H22SeTe — CID 24786620

IUPAC3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene
SMILESCCCC[Te]/C=C\c1cc(-c2ccccc2)[se]c1-c1ccccc1
InChIInChI=1S/C22H22SeTe/c1-2-3-15-24-16-14-20-17-21(18-10-6-4-7-11-18)23-22(20)19-12-8-5-9-13-19/h4-14,16-17H,2-3,15H2,1H3/b16-14-
InChIKeyNDDMZBODGJMKAS-PEZBUJJGSA-N
MW492.98 g/mol
LogP5.97
Rot. Bonds7

About 3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene

3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene (PubChem CID 24786620) has the molecular formula C22H22SeTe and a molecular weight of 492.98 g/mol. Its IUPAC name is 3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene.

Molecular Properties

Compound Name3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene
PubChem CID24786620
Molecular FormulaC22H22SeTe
Molecular Weight492.98 g/mol
Exact Mass495.99
IUPAC Name3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene
SMILESCCCC[Te]/C=C\c1cc(-c2ccccc2)[se]c1-c1ccccc1
InChIInChI=1S/C22H22SeTe/c1-2-3-15-24-16-14-20-17-21(18-10-6-4-7-11-18)23-22(20)19-12-8-5-9-13-19/h4-14,16-17H,2-3,15H2,1H3/b16-14-
InChIKeyNDDMZBODGJMKAS-PEZBUJJGSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.98
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene?
The IUPAC name of 3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene (CID 24786620) is 3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene.
What is the SMILES notation for 3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene?
The canonical SMILES for 3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene is CCCC[Te]/C=C\c1cc(-c2ccccc2)[se]c1-c1ccccc1.
What is the InChIKey of 3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene?
The InChIKey is NDDMZBODGJMKAS-PEZBUJJGSA-N. The full InChI is InChI=1S/C22H22SeTe/c1-2-3-15-24-16-14-20-17-21(18-10-6-4-7-11-18)23-22(20)19-12-8-5-9-13-19/h4-14,16-17H,2-3,15H2,1H3/b16-14-.
What are the key properties of 3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene?
3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene has a molecular weight of 492.98 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-butyltellanylethenyl]-2,5-diphenylselenophene is sourced from PubChem (CID 24786620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).