9,9'-Spirobi[9H-9-silafluorene] - ≥97% , CAS No.159-68-2

CAS: 159-68-2 Cat. No.: S161071 Molecular Weight: 332.48 PubChem CID: 135976

GRADE & PURITY ≥97%

Synonyms

C24H16Si | NSC143517 | NSC-143517 | 5,5'-Spirobi[dibenzo[b,d]silole] | DTXSID40166553 | 5,5'-Spirobi(dibenzosilole) | 5,5'-Spirobi[dibenzosilole] | 8-SILA-8,8'-SPIROBI[TRICYCLO[7.4.0.0(2),?]TRIDECANE]-1(9),1'(9'),2,2',4,4',6,6',10,10',12,12'-DODECAENE | A

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

C24H16Si | NSC143517 | NSC-143517 | 5, 5'-Spirobi[dibenzo[b, d]silole] | DTXSID40166553 | 5, 5'-Spirobi(dibenzosilole) | 5, 5'-Spirobi[dibenzosilole] | 8-SILA-8, 8'-SPIROBI[TRICYCLO[7.4.0.0(2), ?]TRIDECANE]-1(9), 1'(9'), 2, 2', 4, 4', 6, 6', 10, 10', 12, 12'-DODECAENE | A

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187837
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187837
• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3[Si]24C5=CC=CC=C5C6=CC=CC=C46
• IUPAC Name: 5,5'-spirobi[benzo[b][1]benzosilole]
• InChIKey: FAMRBROKCVCCCX-UHFFFAOYSA-N
• INCHI: 1S/C24H16Si/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-16H
• Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3[Si]24C5=CC=CC=C5C6=CC=CC=C46
• PubChem CID: 135976
• Molecular Weight: 332.48
• Reaxy-Rn: 29639

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenoids
• Alternative Parents: Organoheterocyclic compounds Organosilicon compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenoid - Organoheterocyclic compound - Hydrocarbon derivative - Organosilicon compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more 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

• Boil Point(°C): 460°C(lit.)
• Melt Point(°C): 232 °C
• Molecular Weight: 332.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 332.102 Da
• Monoisotopic Mass: 332.102 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 419.000
• 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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