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9-Ethylcarbazole-3-carboxaldehyde N-Benzyl-N-phenylhydrazone - 98%, high purity , CAS No.75238-79-8
Basic Description
Synonyms
9-Ethylcarbazole-3-carboxaldehyde N-Benzyl-N-phenylhydrazone | N-Ethylcarbazole-3-carbaldehyde benzylphenylhydrazone | EINECS 278-148-2 | MFCD05453514 | AKOS015839219 | N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(phenylmethyl)aniline | 9-ETHYLCARBAZ
Specifications & Purity
≥98%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Carbazoles
Intermediate Tree Nodes
Not available
Direct Parent
Carbazoles
Alternative Parents
N-alkylindoles Indoles Phenylhydrazines Substituted pyrroles Heteroaromatic compounds Hydrazones Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbazole - N-alkylindole - Indole - Phenylhydrazine - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Hydrazone - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
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
488198509
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488198509
IUPAC Name
N-benzyl-N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]aniline
INCHI
InChI=1S/C28H25N3/c1-2-30-27-16-10-9-15-25(27)26-19-23(17-18-28(26)30)20-29-31(24-13-7-4-8-14-24)21-22-11-5-3-6-12-22/h3-20H,2,21H2,1H3/b29-20+
InChIKey
RPHJRJPXKZMFFQ-ZTKZIYFRSA-N
Smiles
CCN1C2=C(C=C(C=C2)C=NN(CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C51
Isomeric SMILES
CCN1C2=C(C=C(C=C2)/C=N/N(CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C51
Molecular Weight
403.53
Reaxy-Rn
44808791
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44808791&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture Sensitive
Molecular Weight
403.500 g/mol
XLogP3
6.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
403.205 Da
Monoisotopic Mass
403.205 Da
Topological Polar Surface Area
20.500 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
577.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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F2524290