(Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile

C23H14BrN — CID 157252511

IUPAC(Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(C#Cc2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C23H14BrN/c24-23-14-12-21(13-15-23)22(17-25)16-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-5,8-16H/b22-16+
InChIKeyYASMHHUUFCULAJ-CJLVFECKSA-N
MW384.28 g/mol
LogP5.91
Rot. Bonds2

About (Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile

(Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile (PubChem CID 157252511) has the molecular formula C23H14BrN and a molecular weight of 384.28 g/mol. Its IUPAC name is (Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile
PubChem CID157252511
Molecular FormulaC23H14BrN
Molecular Weight384.28 g/mol
Exact Mass383.03
IUPAC Name(Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(C#Cc2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C23H14BrN/c24-23-14-12-21(13-15-23)22(17-25)16-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-5,8-16H/b22-16+
InChIKeyYASMHHUUFCULAJ-CJLVFECKSA-N
XLogP5.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.28
LogP ≤ 55.91
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-2-[4-[2-(4-bromophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile
CID 4166227
(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
(Z)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile
CID 6240625
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
4-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]benzoic acid
CID 6256221
(Z)-3-(4-bromophenyl)-2-thiophen-3-ylprop-2-enenitrile
CID 24740283
(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile
CID 57342537
(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-iodophenyl)prop-2-enenitrile
CID 126373754
(E)-2-(4-bromophenyl)-3-[4-[(2,4-dibromophenyl)methoxy]phenyl]prop-2-enenitrile
CID 126189799
(E)-2-(4-bromophenyl)-3-(5-methyl-1-phenylpyrrol-2-yl)prop-2-enenitrile
CID 50856412
2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile (CID 157252511) is (Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile is N#C/C(=C\c1ccc(C#Cc2ccccc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of (Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile?
The InChIKey is YASMHHUUFCULAJ-CJLVFECKSA-N. The full InChI is InChI=1S/C23H14BrN/c24-23-14-12-21(13-15-23)22(17-25)16-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-5,8-16H/b22-16+.
What are the key properties of (Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile?
(Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile has a molecular weight of 384.28 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-bromophenyl)-3-[4-(2-phenylethynyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 157252511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).