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Benzene-1,3,5-triyltris(phenylmethanone) - 95%, high purity , CAS No.25871-69-6
Basic Description
Specifications & Purity
≥95%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Benzophenones Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
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
(3,5-dibenzoylphenyl)-phenylmethanone
INCHI
InChI=1S/C27H18O3/c28-25(19-10-4-1-5-11-19)22-16-23(26(29)20-12-6-2-7-13-20)18-24(17-22)27(30)21-14-8-3-9-15-21/h1-18H
InChIKey
FDSRSUAVHPFWGT-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
Isomeric SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
PubChem CID
141248
Molecular Weight
390.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
390.400 g/mol
XLogP3
5.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
390.126 Da
Monoisotopic Mass
390.126 Da
Topological Polar Surface Area
51.200 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
508.000
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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H2406121