2,2'-(2-Vinylanthracene-9,10-diylidene)dimalononitrile - ≥98%(HPLC) , CAS No.1612793-07-3

CAS: 1612793-07-3 Cat. No.: V162954 Molecular Weight: 330.35 EC Number: 811-167-1 PubChem CID: 91972128

GRADE & PURITY ≥98%(HPLC)

Synonyms

V0137 | 9,10-Bis(dicyanomethylene)-2-vinylanthracene | 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile | T71877 | 1612793-07-3 | MFCD28976175 | SCHEMBL17081300 | 2,2'-(2-Vinylanthracene-9,10-diylidene)dimalononitrile

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

V0137 | 9, 10-Bis(dicyanomethylene)-2-vinylanthracene | 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile | T71877 | 1612793-07-3 | MFCD28976175 | SCHEMBL17081300 | 2, 2'-(2-Vinylanthracene-9, 10-diylidene)dimalononitrile

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C=CC1=CC2=C(C=C1)C(=C(C#N)C#N)C3=CC=CC=C3C2=C(C#N)C#N
• IUPAC Name: 2-[10-(dicyanomethylidene)-3-ethenylanthracen-9-ylidene]propanedinitrile
• InChIKey: SUTLXPZYDBOIRV-UHFFFAOYSA-N
• 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
• Isomeric SMILES: C=CC1=CC2=C(C=C1)C(=C(C#N)C#N)C3=CC=CC=C3C2=C(C#N)C#N
• PubChem CID: 91972128
• Molecular Weight: 330.35
• Reaxy-Rn: 26969602

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Anthracenes Styrenes P-quinodimethanes Nitriles
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Sesquiterpenoid - Cadinane sesquiterpenoid - Anthracene - Styrene - P-quinodimethane - Benzenoid - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive
• Molecular Weight: 330.300 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 330.091 Da
• Monoisotopic Mass: 330.091 Da
• Topological Polar Surface Area: 95.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 845.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1