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

C16H11NO2S2 — CID 53330118

IUPAC2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C16H11NO2S2/c18-17(19)13-6-3-12(4-7-13)5-8-14-9-10-16(21-14)15-2-1-11-20-15/h1-11H/b8-5+
InChIKeyGTLAYKWRUWSFRN-VMPITWQZSA-N
MW313.40 g/mol
LogP5.56
Rot. Bonds4

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

2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene (PubChem CID 53330118) has the molecular formula C16H11NO2S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene
PubChem CID53330118
Molecular FormulaC16H11NO2S2
Molecular Weight313.40 g/mol
Exact Mass313.02
IUPAC Name2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C16H11NO2S2/c18-17(19)13-6-3-12(4-7-13)5-8-14-9-10-16(21-14)15-2-1-11-20-15/h1-11H/b8-5+
InChIKeyGTLAYKWRUWSFRN-VMPITWQZSA-N
XLogP5.56
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene?
The IUPAC name of 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene (CID 53330118) is 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene is O=[N+]([O-])c1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene?
The InChIKey is GTLAYKWRUWSFRN-VMPITWQZSA-N. The full InChI is InChI=1S/C16H11NO2S2/c18-17(19)13-6-3-12(4-7-13)5-8-14-9-10-16(21-14)15-2-1-11-20-15/h1-11H/b8-5+.
What are the key properties of 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene?
2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene has a molecular weight of 313.40 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene is sourced from PubChem (CID 53330118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).