2-(1,2-diphenylprop-2-enylidene)propanedinitrile

C18H12N2 — CID 100995628

IUPAC2-(1,2-diphenylprop-2-enylidene)propanedinitrile
SMILESC=C(C(=C(C#N)C#N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H12N2/c1-14(15-8-4-2-5-9-15)18(17(12-19)13-20)16-10-6-3-7-11-16/h2-11H,1H2
InChIKeyADMOYJNHHLMTQQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.20
Rot. Bonds3

About 2-(1,2-diphenylprop-2-enylidene)propanedinitrile

2-(1,2-diphenylprop-2-enylidene)propanedinitrile (PubChem CID 100995628) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(1,2-diphenylprop-2-enylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1,2-diphenylprop-2-enylidene)propanedinitrile
PubChem CID100995628
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name2-(1,2-diphenylprop-2-enylidene)propanedinitrile
SMILESC=C(C(=C(C#N)C#N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H12N2/c1-14(15-8-4-2-5-9-15)18(17(12-19)13-20)16-10-6-3-7-11-16/h2-11H,1H2
InChIKeyADMOYJNHHLMTQQ-UHFFFAOYSA-N
XLogP4.20
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(1,2-diphenylprop-2-enylidene)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

3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
2-[2-bromo-3,3-bis(methylsulfanyl)-1-phenylprop-2-enylidene]propanedinitrile
CID 3709213
(2E)-2-[amino(phenyl)methylidene]-3-phenylbut-3-enenitrile
CID 11218830
2-[2-(diphenyl-λ5-phosphanylidyne)-1-phenylethylidene]propanedinitrile
CID 174368817
N,N-dimethylethanamine;2-phenylprop-2-enenitrile
CID 21447873
2-phenyl-3-[4-[[4-(N-phenylanilino)phenyl]diazenyl]phenyl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
CID 101379213
ethane;2-phenylprop-2-enoic acid
CID 142472843
(3E)-2-phenylpenta-1,3-dien-3-ol
CID 126638860
2-(2-deuterio-1-phenylethylidene)propanedinitrile
CID 10797212
(E)-2-(4-methylphenyl)-3-phenylbut-2-enedinitrile
CID 14025140
(E)-3-chloro-3-iodo-2-phenylprop-2-enenitrile
CID 134893810
3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile
CID 139240607

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diphenylprop-2-enylidene)propanedinitrile?
The IUPAC name of 2-(1,2-diphenylprop-2-enylidene)propanedinitrile (CID 100995628) is 2-(1,2-diphenylprop-2-enylidene)propanedinitrile.
What is the SMILES notation for 2-(1,2-diphenylprop-2-enylidene)propanedinitrile?
The canonical SMILES for 2-(1,2-diphenylprop-2-enylidene)propanedinitrile is C=C(C(=C(C#N)C#N)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,2-diphenylprop-2-enylidene)propanedinitrile?
The InChIKey is ADMOYJNHHLMTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c1-14(15-8-4-2-5-9-15)18(17(12-19)13-20)16-10-6-3-7-11-16/h2-11H,1H2.
What are the key properties of 2-(1,2-diphenylprop-2-enylidene)propanedinitrile?
2-(1,2-diphenylprop-2-enylidene)propanedinitrile has a molecular weight of 256.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diphenylprop-2-enylidene)propanedinitrile is sourced from PubChem (CID 100995628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).