2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene

C16H11IS2 — CID 46850405

IUPAC2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESIc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C16H11IS2/c17-13-6-3-12(4-7-13)5-8-14-9-10-16(19-14)15-2-1-11-18-15/h1-11H/b8-5+
InChIKeyHQIDJNZEDRJJQU-VMPITWQZSA-N
MW394.30 g/mol
LogP6.25
Rot. Bonds3

About 2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene

2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene (PubChem CID 46850405) has the molecular formula C16H11IS2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene
PubChem CID46850405
Molecular FormulaC16H11IS2
Molecular Weight394.30 g/mol
Exact Mass393.93
IUPAC Name2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESIc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C16H11IS2/c17-13-6-3-12(4-7-13)5-8-14-9-10-16(19-14)15-2-1-11-18-15/h1-11H/b8-5+
InChIKeyHQIDJNZEDRJJQU-VMPITWQZSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene?
The IUPAC name of 2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene (CID 46850405) is 2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene is Ic1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of 2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene?
The InChIKey is HQIDJNZEDRJJQU-VMPITWQZSA-N. The full InChI is InChI=1S/C16H11IS2/c17-13-6-3-12(4-7-13)5-8-14-9-10-16(19-14)15-2-1-11-18-15/h1-11H/b8-5+.
What are the key properties of 2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene?
2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene has a molecular weight of 394.30 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-iodophenyl)ethenyl]-5-thiophen-2-ylthiophene is sourced from PubChem (CID 46850405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).