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

C24H16N4 — CID 154953752

IUPAC2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile
SMILESCC(C)Cc1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1
InChIInChI=1S/C24H16N4/c1-15(2)9-16-7-8-21-22(10-16)24(18(13-27)14-28)20-6-4-3-5-19(20)23(21)17(11-25)12-26/h3-8,10,15H,9H2,1-2H3
InChIKeyDRRFUDZBTNZKIN-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.59
Rot. Bonds2

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

2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile (PubChem CID 154953752) has the molecular formula C24H16N4 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile
PubChem CID154953752
Molecular FormulaC24H16N4
Molecular Weight360.42 g/mol
Exact Mass360.14
IUPAC Name2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile
SMILESCC(C)Cc1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1
InChIInChI=1S/C24H16N4/c1-15(2)9-16-7-8-21-22(10-16)24(18(13-27)14-28)20-6-4-3-5-19(20)23(21)17(11-25)12-26/h3-8,10,15H,9H2,1-2H3
InChIKeyDRRFUDZBTNZKIN-UHFFFAOYSA-N
XLogP3.59
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.59
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-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile?
The IUPAC name of 2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile (CID 154953752) is 2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile.
What is the SMILES notation for 2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile?
The canonical SMILES for 2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile is CC(C)Cc1ccc2c(=C(C#N)C#N)c3ccccc3c(=C(C#N)C#N)c2c1.
What is the InChIKey of 2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile?
The InChIKey is DRRFUDZBTNZKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4/c1-15(2)9-16-7-8-21-22(10-16)24(18(13-27)14-28)20-6-4-3-5-19(20)23(21)17(11-25)12-26/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile?
2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile has a molecular weight of 360.42 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(dicyanomethylidene)-3-(2-methylpropyl)anthracen-9-ylidene]propanedinitrile is sourced from PubChem (CID 154953752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).