3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile

C18H10N2S — CID 11243141

IUPAC3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cccc(C#N)c3)s2)c1
InChIInChI=1S/C18H10N2S/c19-11-13-3-1-5-15(9-13)17-7-8-18(21-17)16-6-2-4-14(10-16)12-20/h1-10H
InChIKeyAOQYDQZVFFJPLD-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.83
Rot. Bonds2

About 3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile

3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile (PubChem CID 11243141) has the molecular formula C18H10N2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile
PubChem CID11243141
Molecular FormulaC18H10N2S
Molecular Weight286.36 g/mol
Exact Mass286.06
IUPAC Name3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc(-c3cccc(C#N)c3)s2)c1
InChIInChI=1S/C18H10N2S/c19-11-13-3-1-5-15(9-13)17-7-8-18(21-17)16-6-2-4-14(10-16)12-20/h1-10H
InChIKeyAOQYDQZVFFJPLD-UHFFFAOYSA-N
XLogP4.83
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[5-[(2-fluorophenyl)methyl]thiophen-2-yl]benzonitrile
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3-[3-(4-tert-butylphenyl)phenyl]benzonitrile
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3-(2,6-dibromophenyl)benzonitrile
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3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
3-thieno[3,2-c]quinolin-2-ylbenzonitrile
CID 71530393
3-[2-(3-cyanophenyl)ethynyl]benzonitrile
CID 12022275
3-(3-methoxyphenyl)benzonitrile
CID 4189594
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile?
The IUPAC name of 3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile (CID 11243141) is 3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile.
What is the SMILES notation for 3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile?
The canonical SMILES for 3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile is N#Cc1cccc(-c2ccc(-c3cccc(C#N)c3)s2)c1.
What is the InChIKey of 3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile?
The InChIKey is AOQYDQZVFFJPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2S/c19-11-13-3-1-5-15(9-13)17-7-8-18(21-17)16-6-2-4-14(10-16)12-20/h1-10H.
What are the key properties of 3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile?
3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile has a molecular weight of 286.36 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-cyanophenyl)thiophen-2-yl]benzonitrile is sourced from PubChem (CID 11243141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).