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

C22H10N4 — CID 91972128

IUPAC2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile
SMILESC=Cc1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1
InChIInChI=1S/C22H10N4/c1-2-14-7-8-19-20(9-14)22(16(12-25)13-26)18-6-4-3-5-17(18)21(19)15(10-23)11-24/h2-9H,1H2
InChIKeySUTLXPZYDBOIRV-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.03
Rot. Bonds1

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

2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile (PubChem CID 91972128) has the molecular formula C22H10N4 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile
PubChem CID91972128
Molecular FormulaC22H10N4
Molecular Weight330.35 g/mol
Exact Mass330.09
IUPAC Name2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile
SMILESC=Cc1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1
InChIInChI=1S/C22H10N4/c1-2-14-7-8-19-20(9-14)22(16(12-25)13-26)18-6-4-3-5-17(18)21(19)15(10-23)11-24/h2-9H,1H2
InChIKeySUTLXPZYDBOIRV-UHFFFAOYSA-N
XLogP3.03
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile?
The IUPAC name of 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile (CID 91972128) is 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile.
What is the SMILES notation for 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile?
The canonical SMILES for 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile is C=Cc1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1.
What is the InChIKey of 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile?
The InChIKey is SUTLXPZYDBOIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10N4/c1-2-14-7-8-19-20(9-14)22(16(12-25)13-26)18-6-4-3-5-17(18)21(19)15(10-23)11-24/h2-9H,1H2.
What are the key properties of 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile?
2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile has a molecular weight of 330.35 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile is sourced from PubChem (CID 91972128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).