(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile

C20H14N2 — CID 6145439

IUPAC(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile
SMILESN#C/C(=C(\c1ccccc1)c1cccnc1)c1ccccc1
InChIInChI=1S/C20H14N2/c21-14-19(16-8-3-1-4-9-16)20(17-10-5-2-6-11-17)18-12-7-13-22-15-18/h1-13,15H/b20-19-
InChIKeyNGZJFSVVKFORBJ-VXPUYCOJSA-N
MW282.35 g/mol
LogP4.56
Rot. Bonds3

About (E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile

(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile (PubChem CID 6145439) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is (E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile
PubChem CID6145439
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile
SMILESN#C/C(=C(\c1ccccc1)c1cccnc1)c1ccccc1
InChIInChI=1S/C20H14N2/c21-14-19(16-8-3-1-4-9-16)20(17-10-5-2-6-11-17)18-12-7-13-22-15-18/h1-13,15H/b20-19-
InChIKeyNGZJFSVVKFORBJ-VXPUYCOJSA-N
XLogP4.56
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile
CID 177384504
3-phenyl-3-pyridin-3-ylprop-2-enenitrile
CID 66602387
(E)-2,3-bis[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]but-2-enedinitrile
CID 102194233
pyridin-3-yl 2-cyano-3,3-diphenylprop-2-enoate
CID 59687422
3-chloro-2-pyridin-3-ylprop-2-enenitrile
CID 91475354
(2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile
CID 15180171
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)-3-phenylprop-2-enenitrile
CID 154089927
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
(E)-3-chloro-3-(4-iodophenyl)-2-pyridin-3-ylprop-2-enenitrile
CID 80523322
tetrakis(pyridine);1,2,2-triphenylethenylbenzene
CID 175604996
2-[methoxy(pyridin-3-yl)methylidene]propanedinitrile
CID 22308718
(E)-3-chloro-2-pyridin-3-yl-3-thiophen-3-ylprop-2-enenitrile
CID 80523437

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of (E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile (CID 6145439) is (E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for (E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for (E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile is N#C/C(=C(\c1ccccc1)c1cccnc1)c1ccccc1.
What is the InChIKey of (E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile?
The InChIKey is NGZJFSVVKFORBJ-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H14N2/c21-14-19(16-8-3-1-4-9-16)20(17-10-5-2-6-11-17)18-12-7-13-22-15-18/h1-13,15H/b20-19-.
What are the key properties of (E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile?
(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile has a molecular weight of 282.35 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 6145439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).