2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile

C24H20N4O — CID 102423660

IUPAC2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile
SMILESCN(C)c1ccc(-c2ccc(C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)cc2)cc1
InChIInChI=1S/C24H20N4O/c1-24(2)22(21(15-27)23(29-24)19(13-25)14-26)18-7-5-16(6-8-18)17-9-11-20(12-10-17)28(3)4/h5-12H,1-4H3
InChIKeyDCNBEWDLOSKEHY-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.81
Rot. Bonds3

About 2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile

2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile (PubChem CID 102423660) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile
PubChem CID102423660
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile
SMILESCN(C)c1ccc(-c2ccc(C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)cc2)cc1
InChIInChI=1S/C24H20N4O/c1-24(2)22(21(15-27)23(29-24)19(13-25)14-26)18-7-5-16(6-8-18)17-9-11-20(12-10-17)28(3)4/h5-12H,1-4H3
InChIKeyDCNBEWDLOSKEHY-UHFFFAOYSA-N
XLogP4.81
TPSA83.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-cyano-5-(dicyanomethylidene)-2,2-dimethylfuran-3-yl]-N-methylanilino]ethyl-trimethylazanium
CID 102327085
2-[3-cyano-4-(4-ethynylphenyl)-5,5-dimethylfuran-2-ylidene]propanedinitrile
CID 86638786
2-[3-cyano-4-[(E)-2-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile
CID 102423665
3-[4-[4-cyano-5-(dicyanomethylidene)-2,2-dimethylfuran-3-yl]-N-undecylanilino]propane-1-sulfonic acid
CID 102327082
2-[3-cyano-5,5-dimethyl-4-[4-(1-octyltriazol-4-yl)phenyl]furan-2-ylidene]propanedinitrile
CID 86638789
2-[3-cyano-4-[4-(diethylamino)phenyl]-5-methyl-5-(methylsulfonylsulfanylmethyl)furan-2-ylidene]propanedinitrile
CID 87839615
2-[4-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3,4-dimethylthiophen-2-yl]-3,5,5-trimethylfuran-2-ylidene]propanedinitrile
CID 58687364
2-[3-cyano-4-[(E)-2-[5-(dimethylamino)thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile
CID 102423654
2-[3-cyano-5,5-dimethyl-4-[2-[4-(N-phenylanilino)phenyl]ethenyl]furan-2-ylidene]propanedinitrile
CID 72753310
2-[3-cyano-4-(iodomethyl)-5,5-dimethylfuran-2-ylidene]propanedinitrile
CID 163993090
2-[3-cyano-4-[(E)-2-[15-[4-(dimethylamino)phenyl]-10,10-dihexyl-11,11-di(pentadecyl)-3,7,14,18-tetrathiapentacyclo[10.6.0.02,9.04,8.013,17]octadeca-1(12),2(9),4(8),5,13(17),15-hexaen-6-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile
CID 171455002
2-[(4-cyano-2,2-dimethyl-5-oxofuran-3-yl)-[4-(dimethylamino)phenyl]methylidene]propanedinitrile
CID 102599340

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile?
The IUPAC name of 2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile (CID 102423660) is 2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile is CN(C)c1ccc(-c2ccc(C3=C(C#N)C(=C(C#N)C#N)OC3(C)C)cc2)cc1.
What is the InChIKey of 2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile?
The InChIKey is DCNBEWDLOSKEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-24(2)22(21(15-27)23(29-24)19(13-25)14-26)18-7-5-16(6-8-18)17-9-11-20(12-10-17)28(3)4/h5-12H,1-4H3.
What are the key properties of 2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile?
2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile has a molecular weight of 380.45 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-4-[4-[4-(dimethylamino)phenyl]phenyl]-5,5-dimethylfuran-2-ylidene]propanedinitrile is sourced from PubChem (CID 102423660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).