3,6-Dibromo-9-(triphenylen-2-yl)carbazole - ≥98% , CAS No.1351870-16-0

CAS: 1351870-16-0 Cat. No.: D154870 Molecular Weight: 551.28 EC Number: 811-055-2

GRADE & PURITY ≥98%

Synonyms

9H-Carbazole, 3,6-dibromo-9-(2-triphenylenyl)- | D90349 | 3,6-Dibromo-9-(triphenylen-2-yl)carbazole | SCHEMBL14849654 | 3,6-dibromo-9-triphenylen-2-ylcarbazole | MFCD28975112 | D4910 | 1351870-16-0 | 9H-Carbazole,3,6-dibromo-9-(2-triphenylenyl)- | BEC8701

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

9H-Carbazole, 3, 6-dibromo-9-(2-triphenylenyl)- | D90349 | 3, 6-Dibromo-9-(triphenylen-2-yl)carbazole | SCHEMBL14849654 | 3, 6-dibromo-9-triphenylen-2-ylcarbazole | MFCD28975112 | D4910 | 1351870-16-0 | 9H-Carbazole, 3, 6-dibromo-9-(2-triphenylenyl)- | BEC8701

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504772539
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772539
• Canonical Smiles: C1=CC=C2C(=C1)C3=C(C=C(C=C3)N4C5=C(C=C(C=C5)Br)C6=C4C=CC(=C6)Br)C7=CC=CC=C27
• IUPAC Name: 3,6-dibromo-9-triphenylen-2-ylcarbazole
• InChIKey: SXVSFEPJEUWLCL-UHFFFAOYSA-N
• INCHI: 1S/C30H17Br2N/c31-18-9-13-29-27(15-18)28-16-19(32)10-14-30(28)33(29)20-11-12-25-23-7-2-1-5-21(23)22-6-3-4-8-24(22)26(25)17-20/h1-17H
• Isomeric SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)N4C5=C(C=C(C=C5)Br)C6=C4C=CC(=C6)Br)C7=CC=CC=C27
• Molecular Weight: 551.28
• Reaxy-Rn: 23499774
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23499774&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenanthrenes and derivatives
      • Subclass Triphenylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenanthrenes and derivatives
• Subclass: Triphenylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenylenes
• Alternative Parents: Polybrominated biphenyls Carbazoles Naphthalenes Indoles Substituted pyrroles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenylene - Polybrominated biphenyl - Carbazole - Naphthalene - Indole - Indole or derivatives - Aryl bromide - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
• 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: 551.300 g/mol
• XLogP3: 9.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 550.971 Da
• Monoisotopic Mass: 548.973 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 685.000
• 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