Dibenzo[g,p]chrysene - ≥98% , CAS No.191-68-4

CAS: 191-68-4 Cat. No.: D155976 Molecular Weight: 328.41 Beilstein Registry Number: 5(4)2837

GRADE & PURITY ≥98%

Synonyms

NSC30878 | NSC-30878 | hexacyclo[12.12.0.0^{2,7.0^{8,13.0^{15,20.0^{21,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene | AS-57354 | NSC 30878 | Dibenzo(g,p)chrysene | Dibenzo[a,c]triphenylene | 1,3,4,5,6,7,8-Tetrabenzonaphthalene | 7730GH8V7O

Storage

Store at 2-8°C,Cool

Shipped In

Wet ice

Specifications

Synonyms

NSC30878 | NSC-30878 | hexacyclo[12.12.0.0^{2, 7.0^{8, 13.0^{15, 20.0^{21, 26]hexacosa-1(14), 2, 4, 6, 8, 10, 12, 15, 17, 19, 21, 23, 25-tridecaene | AS-57354 | NSC 30878 | Dibenzo(g, p)chrysene | Dibenzo[a, c]triphenylene | 1, 3, 4, 5, 6, 7, 8-Tetrabenzonaphthalene | 7730GH8V7O

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Cool

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64
• IUPAC Name: hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene
• InChIKey: GQDKQZAEQBGVBS-UHFFFAOYSA-N
• INCHI: 1S/C26H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26-24-16-8-4-12-20(24)19-11-3-7-15-23(19)25(21)26/h1-16H
• Isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64
• Molecular Weight: 328.41
• Beilstein: 5(4)2837
• Reaxy-Rn: 2055677
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2055677&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: Chrysenes Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylene - Chrysene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic 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

• Melt Point(°C): 218 °C
• Molecular Weight: 328.400 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 328.125 Da
• Monoisotopic Mass: 328.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 418.000
• 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

References

1. Zhongling Du, Tiantian Wang, Kun Gong, Yimeng Liang, Lulu Huang, Dongzhi Liu, Ruihong Liu, Tianyang Wang.  (2026)  Mechanically robust long-persistent luminescent hydrogels enabled by synergistic multi-level rigidity and confined crystallization.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.173009]