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Methylenetriphenylphosphorane , CAS No.3487-44-3
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylphosphines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylphosphines and derivatives
Alternative Parents
Organopnictogen compounds Organophosphorus compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Triphenylphosphine - Phenylphosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
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
IUPAC Name
methylidene(triphenyl)-lambda5-phosphane
INCHI
InChI=1S/C19H17P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H2
InChIKey
XYDYWTJEGDZLTH-UHFFFAOYSA-N
Smiles
C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Isomeric SMILES
C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
PubChem CID
137960
Molecular Weight
276.3
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
276.300 g/mol
XLogP3
4.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
3
Exact Mass
276.107 Da
Monoisotopic Mass
276.107 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
275.000
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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