2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile

C25H18N2O — CID 4244802

IUPAC2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile
SMILESN#CC(C#N)=CC1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1
InChIInChI=1S/C25H18N2O/c26-16-18(17-27)14-21-12-7-13-22-23(19-8-3-1-4-9-19)15-24(28-25(21)22)20-10-5-2-6-11-20/h1-6,8-11,14-15H,7,12-13H2
InChIKeyBZAQGYIWMHOSTB-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.92
Rot. Bonds3

About 2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile

2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile (PubChem CID 4244802) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile
PubChem CID4244802
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile
SMILESN#CC(C#N)=CC1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1
InChIInChI=1S/C25H18N2O/c26-16-18(17-27)14-21-12-7-13-22-23(19-8-3-1-4-9-19)15-24(28-25(21)22)20-10-5-2-6-11-20/h1-6,8-11,14-15H,7,12-13H2
InChIKeyBZAQGYIWMHOSTB-UHFFFAOYSA-N
XLogP5.92
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]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

CID 3166945
CID 3166945
CID 12138434
CID 12138434
CID 356685
CID 356685
CID 726895
CID 726895
CID 12176593
CID 12176593
CID 12176598
CID 12176598
CID 716882
CID 716882
CID 789785
CID 789785
CID 424759
CID 424759
CID 555396
CID 555396
CID 13117974
CID 13117974
CID 319900
CID 319900

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile?
The IUPAC name of 2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile (CID 4244802) is 2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile is N#CC(C#N)=CC1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1.
What is the InChIKey of 2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile?
The InChIKey is BZAQGYIWMHOSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O/c26-16-18(17-27)14-21-12-7-13-22-23(19-8-3-1-4-9-19)15-24(28-25(21)22)20-10-5-2-6-11-20/h1-6,8-11,14-15H,7,12-13H2.
What are the key properties of 2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile?
2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile has a molecular weight of 362.43 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]propanedinitrile is sourced from PubChem (CID 4244802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).