10,15-Dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole - ≥98%(HPLC) , CAS No.109005-10-9

CAS: 109005-10-9 Cat. No.: D290520 Peso molecular: 345.41 Número EC: 890-924-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

DTXSID30547271 | SCHEMBL12219428 | YSWG748 | 9,18,27-triazaheptacyclo[18.7.0.0^{2,10.0^{3,8.0^{11,19.0^{12,17.0^{21,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene | A895161 | MFCD21609440 | SY234705 | 10,15-Dihydro-5H-5,10,15-triazadiin

Storage

Room temperature

Specifications

Sinónimos

DTXSID30547271 | SCHEMBL12219428 | YSWG748 | 9, 18, 27-triazaheptacyclo[18.7.0.0^{2, 10.0^{3, 8.0^{11, 19.0^{12, 17.0^{21, 26]heptacosa-1(20), 2(10), 3, 5, 7, 11(19), 12, 14, 16, 21, 23, 25-dodecaene | A895161 | MFCD21609440 | SY234705 | 10, 15-Dihydro-5H-5, 10, 15-triazadiin

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504767479
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767479
• Sonrisas canónicas: C1=CC=C2C(=C1)C3=C(N2)C4=C(C5=C3NC6=CC=CC=C65)NC7=CC=CC=C74
• IUPAC Name: 9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
• InChIKey: IQRFZFGTHZJRFV-UHFFFAOYSA-N
• INCHI: 1S/C24H15N3/c1-4-10-16-13(7-1)19-22(25-16)20-15-9-3-6-12-18(15)27-24(20)21-14-8-2-5-11-17(14)26-23(19)21/h1-12,25-27H
• Isómeros SMILES: C1=CC=C2C(=C1)C3=C(N2)C4=C(C5=C3NC6=CC=CC=C65)NC7=CC=CC=C74
• Peso molecular: 345.41
• Reaxy-Rn: 5132333
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5132333&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Carbazoles
        • Level5 Pyrrolocarbazoles
          • Level6 Indolocarbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Pyrrolocarbazoles
• Direct Parent: Indolocarbazoles
• Alternative Parents: Pyrroloindoles Indoles Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolocarbazole - Pyrroloindole - Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 350 °C
• Peso molecular: 345.400 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 345.127 Da
• Monoisotopic Mass: 345.127 Da
• Topological Polar Surface Area: 47.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 505.000
• 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