4-(1-phenylethenyl)benzonitrile

C15H11N — CID 11977035

IUPAC4-(1-phenylethenyl)benzonitrile
SMILESC=C(c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C15H11N/c1-12(14-5-3-2-4-6-14)15-9-7-13(11-16)8-10-15/h2-10H,1H2
InChIKeySWJJWQGNKYPTLZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.62
Rot. Bonds2

About 4-(1-phenylethenyl)benzonitrile

4-(1-phenylethenyl)benzonitrile (PubChem CID 11977035) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(1-phenylethenyl)benzonitrile.

Molecular Properties

Compound Name4-(1-phenylethenyl)benzonitrile
PubChem CID11977035
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name4-(1-phenylethenyl)benzonitrile
SMILESC=C(c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C15H11N/c1-12(14-5-3-2-4-6-14)15-9-7-13(11-16)8-10-15/h2-10H,1H2
InChIKeySWJJWQGNKYPTLZ-UHFFFAOYSA-N
XLogP3.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(4-chlorophenyl)ethenyl]benzonitrile
CID 54481297
4-(2-phenylprop-2-enoyl)benzonitrile
CID 66619390
potassium 1-phenylethenylbenzene
CID 19358731
1-phenylethenylbenzene;hydrochloride
CID 70400725
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
(14N)benzonitrile
CID 102268532
4-(2-phenylprop-2-enylamino)benzonitrile
CID 113288086
4-[5-(4-cyanophenyl)hexa-1,5-dien-2-yl]benzonitrile
CID 122403774
benzonitrile;hypoiodous acid
CID 174504508
4-[10-[4-(1,2,2-triphenylethenyl)phenyl]anthracen-9-yl]benzonitrile
CID 138552651
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethenyl)benzonitrile?
The IUPAC name of 4-(1-phenylethenyl)benzonitrile (CID 11977035) is 4-(1-phenylethenyl)benzonitrile.
What is the SMILES notation for 4-(1-phenylethenyl)benzonitrile?
The canonical SMILES for 4-(1-phenylethenyl)benzonitrile is C=C(c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-(1-phenylethenyl)benzonitrile?
The InChIKey is SWJJWQGNKYPTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N/c1-12(14-5-3-2-4-6-14)15-9-7-13(11-16)8-10-15/h2-10H,1H2.
What are the key properties of 4-(1-phenylethenyl)benzonitrile?
4-(1-phenylethenyl)benzonitrile has a molecular weight of 205.26 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethenyl)benzonitrile is sourced from PubChem (CID 11977035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).