2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile

C21H8N4O — CID 71348274

IUPAC2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1c2ccccc2c(=C(C#N)C#N)c2cc(C=O)ccc12
InChIInChI=1S/C21H8N4O/c22-8-14(9-23)20-16-3-1-2-4-17(16)21(15(10-24)11-25)19-7-13(12-26)5-6-18(19)20/h1-7,12H
InChIKeyZKOHOAFVOWDINN-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.20
Rot. Bonds1

About 2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile

2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile (PubChem CID 71348274) has the molecular formula C21H8N4O and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile
PubChem CID71348274
Molecular FormulaC21H8N4O
Molecular Weight332.32 g/mol
Exact Mass332.07
IUPAC Name2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1c2ccccc2c(=C(C#N)C#N)c2cc(C=O)ccc12
InChIInChI=1S/C21H8N4O/c22-8-14(9-23)20-16-3-1-2-4-17(16)21(15(10-24)11-25)19-7-13(12-26)5-6-18(19)20/h1-7,12H
InChIKeyZKOHOAFVOWDINN-UHFFFAOYSA-N
XLogP2.20
TPSA112.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-Naphthalenecarboxaldehyde
CID 6201
9-Anthracenecarboxaldehyde
CID 69504
1-Pyrenecarboxaldehyde
CID 232848
1-Naphthalenecarboxaldehyde, 4-methyl-
CID 141839
10-Methylanthracene-9-carbaldehyde
CID 81519
2,3-Anthracenedicarboxaldehyde
CID 195906
9,10-Anthracenedicarboxaldehyde
CID 81500
Phenanthrene-9-carbaldehyde
CID 78437
beta-Oxo-2-naphthalenepropanenitrile
CID 222856
3-[(E)-3-oxo-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzonitrile
CID 50925607
4-(1,4-Dioxonaphthalen-2-yl)benzonitrile
CID 162661159
3-(4-Benzoylphenyl)benzonitrile
CID 168297950

Frequently Asked Questions

What is the IUPAC name of 2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile?
The IUPAC name of 2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile (CID 71348274) is 2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile.
What is the SMILES notation for 2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile?
The canonical SMILES for 2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile is N#CC(C#N)=c1c2ccccc2c(=C(C#N)C#N)c2cc(C=O)ccc12.
What is the InChIKey of 2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile?
The InChIKey is ZKOHOAFVOWDINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H8N4O/c22-8-14(9-23)20-16-3-1-2-4-17(16)21(15(10-24)11-25)19-7-13(12-26)5-6-18(19)20/h1-7,12H.
What are the key properties of 2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile?
2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile has a molecular weight of 332.32 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(dicyanomethylidene)-3-formylanthracen-9-ylidene]propanedinitrile is sourced from PubChem (CID 71348274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).