3-methyl-2,4,5-tris(phenylselanyl)thiophene

C23H18SSe3 — CID 10907859

IUPAC3-methyl-2,4,5-tris(phenylselanyl)thiophene
SMILESCc1c([Se]c2ccccc2)sc([Se]c2ccccc2)c1[Se]c1ccccc1
InChIInChI=1S/C23H18SSe3/c1-17-21(25-18-11-5-2-6-12-18)23(27-20-15-9-4-10-16-20)24-22(17)26-19-13-7-3-8-14-19/h2-16H,1H3
InChIKeyZCBCEJLTMYQSQE-UHFFFAOYSA-N
MW563.34 g/mol
LogP1.02
Rot. Bonds6

About 3-methyl-2,4,5-tris(phenylselanyl)thiophene

3-methyl-2,4,5-tris(phenylselanyl)thiophene (PubChem CID 10907859) has the molecular formula C23H18SSe3 and a molecular weight of 563.34 g/mol. Its IUPAC name is 3-methyl-2,4,5-tris(phenylselanyl)thiophene.

Molecular Properties

Compound Name3-methyl-2,4,5-tris(phenylselanyl)thiophene
PubChem CID10907859
Molecular FormulaC23H18SSe3
Molecular Weight563.34 g/mol
Exact Mass565.86
IUPAC Name3-methyl-2,4,5-tris(phenylselanyl)thiophene
SMILESCc1c([Se]c2ccccc2)sc([Se]c2ccccc2)c1[Se]c1ccccc1
InChIInChI=1S/C23H18SSe3/c1-17-21(25-18-11-5-2-6-12-18)23(27-20-15-9-4-10-16-20)24-22(17)26-19-13-7-3-8-14-19/h2-16H,1H3
InChIKeyZCBCEJLTMYQSQE-UHFFFAOYSA-N
XLogP1.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.34
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-2,4,5-tris(phenylselanyl)thiophene?
The IUPAC name of 3-methyl-2,4,5-tris(phenylselanyl)thiophene (CID 10907859) is 3-methyl-2,4,5-tris(phenylselanyl)thiophene.
What is the SMILES notation for 3-methyl-2,4,5-tris(phenylselanyl)thiophene?
The canonical SMILES for 3-methyl-2,4,5-tris(phenylselanyl)thiophene is Cc1c([Se]c2ccccc2)sc([Se]c2ccccc2)c1[Se]c1ccccc1.
What is the InChIKey of 3-methyl-2,4,5-tris(phenylselanyl)thiophene?
The InChIKey is ZCBCEJLTMYQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18SSe3/c1-17-21(25-18-11-5-2-6-12-18)23(27-20-15-9-4-10-16-20)24-22(17)26-19-13-7-3-8-14-19/h2-16H,1H3.
What are the key properties of 3-methyl-2,4,5-tris(phenylselanyl)thiophene?
3-methyl-2,4,5-tris(phenylselanyl)thiophene has a molecular weight of 563.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,5-tris(phenylselanyl)thiophene is sourced from PubChem (CID 10907859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).