(E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile

C23H17NO — CID 144583765

IUPAC(E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile
SMILESN#C/C(O)=C\c1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H17NO/c24-17-22(25)15-18-11-13-19(14-12-18)16-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-16,25H/b22-15+
InChIKeyOKCZBZORLXKOQU-PXLXIMEGSA-N
MW323.40 g/mol
LogP5.70
Rot. Bonds4

About (E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile

(E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile (PubChem CID 144583765) has the molecular formula C23H17NO and a molecular weight of 323.40 g/mol. Its IUPAC name is (E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile
PubChem CID144583765
Molecular FormulaC23H17NO
Molecular Weight323.40 g/mol
Exact Mass323.13
IUPAC Name(E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile
SMILESN#C/C(O)=C\c1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H17NO/c24-17-22(25)15-18-11-13-19(14-12-18)16-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-16,25H/b22-15+
InChIKeyOKCZBZORLXKOQU-PXLXIMEGSA-N
XLogP5.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile?
The IUPAC name of (E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile (CID 144583765) is (E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile.
What is the SMILES notation for (E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile?
The canonical SMILES for (E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile is N#C/C(O)=C\c1ccc(C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile?
The InChIKey is OKCZBZORLXKOQU-PXLXIMEGSA-N. The full InChI is InChI=1S/C23H17NO/c24-17-22(25)15-18-11-13-19(14-12-18)16-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-16,25H/b22-15+.
What are the key properties of (E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile?
(E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile has a molecular weight of 323.40 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile is sourced from PubChem (CID 144583765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).