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N,N'-Bis(naphthalen-1-yl)-N,N'-bis(phenyl)-2,2'-dimethylbenzidine - Sublimed,>99%(HPLC), high purity , CAS No.495416-60-9
Basic Description
Specifications & Purity
sublimed grade, ≥99%(HPLC)
Grade
sublimed grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Tertiary amines
Direct Parent
Triarylamines
Alternative Parents
Biphenyls and derivatives Naphthalenes Aniline and substituted anilines Aminotoluenes Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tertiary aromatic amine - Biphenyl - Naphthalene - Aminotoluene - Aniline or substituted anilines - Toluene - Benzenoid - Monocyclic benzene moiety - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
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
N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
INCHI
InChI=1S/C46H36N2/c1-33-31-39(47(37-19-5-3-6-20-37)45-25-13-17-35-15-9-11-23-43(35)45)27-29-41(33)42-30-28-40(32-34(42)2)48(38-21-7-4-8-22-38)46-26-14-18-36-16-10-12-24-44(36)46/h3-32H,1-2H3
InChIKey
ZJFKMIYGRJGWIB-UHFFFAOYSA-N
Smiles
CC1=C(C=CC(=C1)N(C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)C5=C(C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87)C
Isomeric SMILES
CC1=C(C=CC(=C1)N(C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)C5=C(C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87)C
Reaxy-Rn
32307757
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32307757&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
616.800 g/mol
XLogP3
13.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
7
Exact Mass
616.288 Da
Monoisotopic Mass
616.288 Da
Topological Polar Surface Area
6.500 Ų
Heavy Atom Count
48
Formal Charge
0
Complexity
903.000
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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