4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile

C25H17NS3 — CID 101393946

IUPAC4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2cc(/C=C/c3cccs3)sc2/C=C/c2cccs2)cc1
InChIInChI=1S/C25H17NS3/c26-18-20-7-5-19(6-8-20)9-10-21-17-24(12-11-22-3-1-15-27-22)29-25(21)14-13-23-4-2-16-28-23/h1-17H/b10-9+,12-11+,14-13+
InChIKeyLGGYIMPALJGRCP-OFYUHDMGSA-N
MW427.62 g/mol
LogP8.25
Rot. Bonds6

About 4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile

4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile (PubChem CID 101393946) has the molecular formula C25H17NS3 and a molecular weight of 427.62 g/mol. Its IUPAC name is 4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile
PubChem CID101393946
Molecular FormulaC25H17NS3
Molecular Weight427.62 g/mol
Exact Mass427.05
IUPAC Name4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2cc(/C=C/c3cccs3)sc2/C=C/c2cccs2)cc1
InChIInChI=1S/C25H17NS3/c26-18-20-7-5-19(6-8-20)9-10-21-17-24(12-11-22-3-1-15-27-22)29-25(21)14-13-23-4-2-16-28-23/h1-17H/b10-9+,12-11+,14-13+
InChIKeyLGGYIMPALJGRCP-OFYUHDMGSA-N
XLogP8.25
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.62
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
2-[(E)-2-(4-fluorophenyl)ethenyl]thiophene
CID 101247141
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
4-[(E)-2-[2,3-bis[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 100941725
4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177
4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile
CID 66772066
3-amino-4-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 5372722
4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 142825891
4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile
CID 101467306
4-[(E)-2-oxo-5-thiophen-2-ylpent-4-enyl]benzonitrile
CID 147542409
4-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]-2,5-bis(N-phenylanilino)phenyl]ethenyl]benzonitrile
CID 102485481

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile (CID 101393946) is 4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2cc(/C=C/c3cccs3)sc2/C=C/c2cccs2)cc1.
What is the InChIKey of 4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile?
The InChIKey is LGGYIMPALJGRCP-OFYUHDMGSA-N. The full InChI is InChI=1S/C25H17NS3/c26-18-20-7-5-19(6-8-20)9-10-21-17-24(12-11-22-3-1-15-27-22)29-25(21)14-13-23-4-2-16-28-23/h1-17H/b10-9+,12-11+,14-13+.
What are the key properties of 4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile?
4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile has a molecular weight of 427.62 g/mol, XLogP of 8.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2,5-bis[(E)-2-thiophen-2-ylethenyl]thiophen-3-yl]ethenyl]benzonitrile is sourced from PubChem (CID 101393946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).