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Diphenylbis(phenylethynyl)silane - 98%, high purity , CAS No.18784-61-7
Basic Description
Synonyms
diphenyl[bis(phenylethynyl)]silane | MFCD00093508 | T70478 | D4312 | Diphenyl-bis(2-phenylethynyl)silane | AKOS024433308 | bis(phenylethynyl)diphenylsilane | DTXSID30410431 | Diphenylbis(phenylethynyl)silane | Silane, diphenylbis(phenylethynyl)-
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organometallic compounds
Class
Organometalloid compounds
Subclass
Organosilicon compounds
Intermediate Tree Nodes
Not available
Direct Parent
Alkylarylsilanes
Alternative Parents
Benzene and substituted derivatives Hydrocarbon derivatives Alkylsilanes
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkylarylsilane - Benzenoid - Monocyclic benzene moiety - Hydrocarbon derivative - Alkylsilane - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
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.
Names and Identifiers
Pubchem Sid
488195158
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488195158
IUPAC Name
diphenyl-bis(2-phenylethynyl)silane
INCHI
InChI=1S/C28H20Si/c1-5-13-25(14-6-1)21-23-29(27-17-9-3-10-18-27,28-19-11-4-12-20-28)24-22-26-15-7-2-8-16-26/h1-20H
InChIKey
BBVOORFIXBLFFX-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C#C[Si](C#CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Isomeric SMILES
C1=CC=C(C=C1)C#C[Si](C#CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Molecular Weight
384.55
Reaxy-Rn
2887834
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2887834&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
81 °C
Molecular Weight
384.500 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
6
Exact Mass
384.133 Da
Monoisotopic Mass
384.133 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
567.000
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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F2330084