5,12-Bis((triisopropylsilyl)ethynyl)tetracene - ≥99% , CAS No.628316-50-7

CAS: 628316-50-7 Cat. No.: T290312 Molecular Weight: 589.01

GRADE & PURITY ≥99%

Synonyms

MFCD22376615 | DS-3763 | FT-0699314 | AKOS016004322 | C75955 | [Tetracene-5,12-diyldi(ethyne-2,1-diyl)]bis[tri(propan-2-yl)silane] | DTXSID70730463 | 5,12-Bis((triisopropylsilyl)ethynyl)tetracene | tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]t

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

MFCD22376615 | DS-3763 | FT-0699314 | AKOS016004322 | C75955 | [Tetracene-5, 12-diyldi(ethyne-2, 1-diyl)]bis[tri(propan-2-yl)silane] | DTXSID70730463 | 5, 12-Bis((triisopropylsilyl)ethynyl)tetracene | tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]t

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C)[Si](C#CC1=C2C=CC=CC2=C(C3=CC4=CC=CC=C4C=C31)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
• IUPAC Name: tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]tetracen-5-yl]ethynyl]silane
• InChIKey: CHIWZTMMQIHUNY-UHFFFAOYSA-N
• INCHI: 1S/C40H52Si2/c1-27(2)41(28(3)4,29(5)6)23-21-37-35-19-15-16-20-36(35)38(22-24-42(30(7)8,31(9)10)32(11)12)40-26-34-18-14-13-17-33(34)25-39(37)40/h13-20,25-32H,1-12H3
• Isomeric SMILES: CC(C)[Si](C#CC1=C2C=CC=CC2=C(C3=CC4=CC=CC=C4C=C31)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
• Molecular Weight: 589.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthacenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthacenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthacenes
• Alternative Parents: Trialkylsilanes Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetracene - Trialkylsilane - Organic metalloid salt - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Organic metalloid moeity - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthacenes. These are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings.
• 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

• Molecular Weight: 589.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 588.361 Da
• Monoisotopic Mass: 588.361 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 907.000
• 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

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