(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile

C23H19N — CID 177384504

IUPAC(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C(\c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19N/c1-17-8-12-19(13-9-17)22(16-24)23(20-6-4-3-5-7-20)21-14-10-18(2)11-15-21/h3-15H,1-2H3/b23-22+
InChIKeyMALFVUROMANLLG-GHVJWSGMSA-N
MW309.41 g/mol
LogP5.79
Rot. Bonds3

About (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile

(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile (PubChem CID 177384504) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile
PubChem CID177384504
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C(\c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19N/c1-17-8-12-19(13-9-17)22(16-24)23(20-6-4-3-5-7-20)21-14-10-18(2)11-15-21/h3-15H,1-2H3/b23-22+
InChIKeyMALFVUROMANLLG-GHVJWSGMSA-N
XLogP5.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.79
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

(E)-2-(4-methylphenyl)-3-phenylbut-2-enedinitrile
CID 14025140
(E)-2,3-bis[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]but-2-enedinitrile
CID 102194233
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)-3-phenylprop-2-enenitrile
CID 154089927
(E)-2-(4-methylphenyl)-3-[4-[4-(N-phenylanilino)phenyl]phenyl]but-2-enedinitrile
CID 134194684
(E)-2,3-diphenyl-3-pyridin-3-ylprop-2-enenitrile
CID 6145439
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
(Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile
CID 102432423
1,3,5-tris[4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenyl]benzene
CID 170669630
1-[(Z)-1-chloro-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzene
CID 100919311
2-[[5-(4-methylphenyl)thiophen-2-yl]-phenylmethylidene]propanedinitrile
CID 43833576
2-[4-(3,6-dibromocarbazol-9-yl)phenyl]-3,3-diphenylprop-2-enenitrile
CID 132522260
3-chloro-3-(2,5-dimethylphenyl)-2-phenylprop-2-enenitrile
CID 76922556

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile?
The IUPAC name of (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile (CID 177384504) is (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile is Cc1ccc(/C(C#N)=C(\c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile?
The InChIKey is MALFVUROMANLLG-GHVJWSGMSA-N. The full InChI is InChI=1S/C23H19N/c1-17-8-12-19(13-9-17)22(16-24)23(20-6-4-3-5-7-20)21-14-10-18(2)11-15-21/h3-15H,1-2H3/b23-22+.
What are the key properties of (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile?
(Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile has a molecular weight of 309.41 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enenitrile is sourced from PubChem (CID 177384504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).