2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile

C24H19N3O — CID 632530

IUPAC2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile
SMILESCN(C)c1ccc(C=CC2=CC(=C(C#N)C#N)C=C(c3ccccc3)O2)cc1
InChIInChI=1S/C24H19N3O/c1-27(2)22-11-8-18(9-12-22)10-13-23-14-20(21(16-25)17-26)15-24(28-23)19-6-4-3-5-7-19/h3-15H,1-2H3
InChIKeyLZIAKVYNAWVDBD-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.06
Rot. Bonds4

About 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile

2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile (PubChem CID 632530) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile
PubChem CID632530
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile
SMILESCN(C)c1ccc(C=CC2=CC(=C(C#N)C#N)C=C(c3ccccc3)O2)cc1
InChIInChI=1S/C24H19N3O/c1-27(2)22-11-8-18(9-12-22)10-13-23-14-20(21(16-25)17-26)15-24(28-23)19-6-4-3-5-7-19/h3-15H,1-2H3
InChIKeyLZIAKVYNAWVDBD-UHFFFAOYSA-N
XLogP5.06
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyran-4-ylidene]propanedinitrile
CID 101087473
2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]propanedinitrile
CID 87508126
2-[2-methyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]propanedinitrile
CID 91995005
2-[2,6-bis[(E)-2-[4-(N-(4-bromophenyl)anilino)phenyl]ethenyl]pyran-4-ylidene]propanedinitrile
CID 102468803
2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-ylidene]propanedinitrile
CID 91995002
4-[2-[4-[bis(5-phenyl-1,3,4-oxadiazol-2-yl)methylidene]-6-[2-[4-(dimethylamino)phenyl]ethenyl]pyran-2-yl]ethenyl]-N,N-dimethylaniline
CID 59913602
2-[2-[(E)-2-[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile
CID 138500558
2-[2-[2,6-bis[2-[4-(dimethylamino)phenyl]ethenyl]pyran-4-ylidene]-3-oxoinden-1-ylidene]propanedinitrile;2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]indene-1,3-dione;2-[2-methyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]indene-1,3-dione
CID 162163423
2-[2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]ethenyl]pyran-4-ylidene]propanedinitrile
CID 88874024
2-[2-[2-(4-bromophenyl)ethenyl]-6-methylpyran-4-ylidene]propanedinitrile
CID 154574111
2-[2-[(2,6-diphenylpyran-4-ylidene)methyl]-6-methylpyran-4-ylidene]propanedinitrile
CID 91744793
2-[2-phenyl-6-[2-[4-(3-phenyl-5-pyren-1-yl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]pyran-4-ylidene]propanedinitrile
CID 73446800

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile?
The IUPAC name of 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile (CID 632530) is 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile.
What is the SMILES notation for 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile?
The canonical SMILES for 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile is CN(C)c1ccc(C=CC2=CC(=C(C#N)C#N)C=C(c3ccccc3)O2)cc1.
What is the InChIKey of 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile?
The InChIKey is LZIAKVYNAWVDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-27(2)22-11-8-18(9-12-22)10-13-23-14-20(21(16-25)17-26)15-24(28-23)19-6-4-3-5-7-19/h3-15H,1-2H3.
What are the key properties of 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile?
2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile has a molecular weight of 365.44 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-phenylpyran-4-ylidene]propanedinitrile is sourced from PubChem (CID 632530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).