2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile

C26H22N2 — CID 101201444

IUPAC2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile
SMILESN#CC(C#N)C(CC/C(=C\c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2/c27-19-25(20-28)26(23-14-8-3-9-15-23)17-16-24(22-12-6-2-7-13-22)18-21-10-4-1-5-11-21/h1-15,18,25-26H,16-17H2/b24-18+
InChIKeyZSTPKYNJZULYTA-HKOYGPOVSA-N
MW362.48 g/mol
LogP6.45
Rot. Bonds7

About 2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile

2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile (PubChem CID 101201444) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile.

Molecular Properties

Compound Name2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile
PubChem CID101201444
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile
SMILESN#CC(C#N)C(CC/C(=C\c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2/c27-19-25(20-28)26(23-14-8-3-9-15-23)17-16-24(22-12-6-2-7-13-22)18-21-10-4-1-5-11-21/h1-15,18,25-26H,16-17H2/b24-18+
InChIKeyZSTPKYNJZULYTA-HKOYGPOVSA-N
XLogP6.45
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile 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

2-benzhydrylidenepropanedinitrile;2-(1-phenylheptyl)propanedinitrile
CID 160645918
(Z)-4,5-diphenylpent-4-enal
CID 102069655
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
[(1Z)-5-methyl-1-phenylhexa-1,5-dien-2-yl]benzene
CID 177384846
(2Z,4R,7Z)-8-(4-hydroxyphenyl)-7-phenylocta-2,7-diene-1,4-diol
CID 23974829
(E)-3,4-diphenylbut-3-enethial
CID 87918444
1-bromo-4-[(1Z,6Z)-7-(4-bromophenyl)-2,6-diphenylhepta-1,6-dienyl]benzene
CID 101013816
1-[(Z)-2,3-diphenylprop-2-enyl]pyrrolidine
CID 11334542
(E)-2,3-diphenyl-N-propan-2-ylprop-2-en-1-amine
CID 11402493
2-[(E)-2,3-diphenylprop-2-enoxy]ethanol
CID 67713880
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
methyl 4-cyano-3,4-diphenylbutanoate
CID 11780891

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile?
The IUPAC name of 2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile (CID 101201444) is 2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile.
What is the SMILES notation for 2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile?
The canonical SMILES for 2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile is N#CC(C#N)C(CC/C(=C\c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile?
The InChIKey is ZSTPKYNJZULYTA-HKOYGPOVSA-N. The full InChI is InChI=1S/C26H22N2/c27-19-25(20-28)26(23-14-8-3-9-15-23)17-16-24(22-12-6-2-7-13-22)18-21-10-4-1-5-11-21/h1-15,18,25-26H,16-17H2/b24-18+.
What are the key properties of 2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile?
2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile has a molecular weight of 362.48 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,4,5-triphenylpent-4-enyl]propanedinitrile is sourced from PubChem (CID 101201444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).