(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile

C21H15N — CID 6450896

IUPAC(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H15N/c22-16-21(19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)18-7-3-1-4-8-18/h1-15H/b21-15-
InChIKeyOIFIBIHDOBPTDR-QNGOZBTKSA-N
MW281.36 g/mol
LogP5.42
Rot. Bonds3

About (E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile

(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile (PubChem CID 6450896) has the molecular formula C21H15N and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
PubChem CID6450896
Molecular FormulaC21H15N
Molecular Weight281.36 g/mol
Exact Mass281.12
IUPAC Name(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H15N/c22-16-21(19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)18-7-3-1-4-8-18/h1-15H/b21-15-
InChIKeyOIFIBIHDOBPTDR-QNGOZBTKSA-N
XLogP5.42
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide
CID 22301035
(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile
CID 57342537
(Z)-3-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-2-phenylprop-2-enenitrile
CID 139205580
3-azulen-1-yl-2-phenylprop-2-enenitrile
CID 141486113
2-(2-fluorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
CID 5234959
(Z)-3-(3,4-dihydroxyphenyl)-2-phenylprop-2-enenitrile
CID 22080485
3-[4-[(dimethylamino)methyl]phenyl]-2-phenylprop-2-enenitrile
CID 76517334
(Z)-2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-3-phenylprop-2-enenitrile
CID 135398456
(E)-2-phenyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 21234790
4-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]benzoic acid
CID 6256221

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile?
The IUPAC name of (E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile (CID 6450896) is (E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile is N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile?
The InChIKey is OIFIBIHDOBPTDR-QNGOZBTKSA-N. The full InChI is InChI=1S/C21H15N/c22-16-21(19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)18-7-3-1-4-8-18/h1-15H/b21-15-.
What are the key properties of (E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile?
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile has a molecular weight of 281.36 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile is sourced from PubChem (CID 6450896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).