4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl - sublimed grade, ≥99%(HPLC) , CAS No.120260-01-7

CAS: 120260-01-7 Cat. No.: C289987 EC Number: 890-926-9

GRADE & PURITY Sublimed grade, ≥99%(HPLC)

Synonyms

120260-01-7|4,4'-BIS(9-CARBAZOLYL)-2,2'-DIMETHYLBIPHENYL|604785-54-8|CDBP|9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole|9,9'-(2,2'-dimethyl-[1,1'-biphenyl]-4,4'-diyl)bis(9H-carbazole)|4,4/'-Bis(9-carbazolyl)-2,2/'-dimethylbiphenyl|4,4'-Bi

Storage

Room temperature

Specifications

Synonyms

120260-01-7 | 4, 4'-BIS(9-CARBAZOLYL)-2, 2'-DIMETHYLBIPHENYL | 604785-54-8 | CDBP | 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole | 9, 9'-(2, 2'-dimethyl-[1, 1'-biphenyl]-4, 4'-diyl)bis(9H-carbazole) | 4, 4/'-Bis(9-carbazolyl)-2, 2/'-dimethylbiphenyl | 4, 4'-Bi

Specifications & Purity

sublimed grade, ≥99%(HPLC)

Storage

Room temperature

Grade

Sublimed grade

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 504769124
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769124
• Canonical Smiles: CC1=C(C=CC(=C1)N2C3=CC=CC=C3C4=CC=CC=C42)C5=C(C=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C
• IUPAC Name: 9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole
• InChIKey: LTUJKAYZIMMJEP-UHFFFAOYSA-N
• INCHI: 1S/C38H28N2/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40/h3-24H,1-2H3
• Isomeric SMILES: CC1=C(C=CC(=C1)N2C3=CC=CC=C3C4=CC=CC=C42)C5=C(C=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C
• Reaxy-Rn: 9966692
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9966692&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Biphenyls and derivatives Phenylpyrroles Indoles Toluenes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Biphenyl - 1-phenylpyrrole - Indole - Toluene - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 512.600 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 512.225 Da
• Monoisotopic Mass: 512.225 Da
• Topological Polar Surface Area: 9.900 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 756.000
• 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