5,15-Dibromo-10,20-diphenylporphine - ≥98%(HPLC) , CAS No.151256-86-9

CAS: 151256-86-9 Cat. No.: D289951 Molecular Weight: 620.36 PubChem CID: 11192872

GRADE & PURITY ≥98%(HPLC)

Synonyms

F73307 | FT-0697730 | 5,15-dibromo-10,20-diphenylporphyrin | J-008792 | DTXSID60458220 | 5,15-DIBROMO-10,20-DIPHENYLPORPHINE | 21H,23H-Porphine, 5,15-dibromo-10,20-diphenyl- | 5,15-(diphenyl)-10,20-(dibromo)porphyrin | SB63966 | VOXHYLCPLUKQCY-UHFFFAOYSA-

Storage

Room temperature

Specifications

Synonyms

F73307 | FT-0697730 | 5, 15-dibromo-10, 20-diphenylporphyrin | J-008792 | DTXSID60458220 | 5, 15-DIBROMO-10, 20-DIPHENYLPORPHINE | 21H, 23H-Porphine, 5, 15-dibromo-10, 20-diphenyl- | 5, 15-(diphenyl)-10, 20-(dibromo)porphyrin | SB63966 | VOXHYLCPLUKQCY-UHFFFAOYSA-

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=CC=C7)Br)N3
• IUPAC Name: 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin
• InChIKey: XBGDWJTUQWOPHM-UHFFFAOYSA-N
• INCHI: 1S/C32H20Br2N4/c33-31-25-15-11-21(35-25)29(19-7-3-1-4-8-19)22-12-16-26(36-22)32(34)28-18-14-24(38-28)30(20-9-5-2-6-10-20)23-13-17-27(31)37-23/h1-18,35,37H
• Isomeric SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=CC=C7)Br)N3
• PubChem CID: 11192872
• Molecular Weight: 620.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrapyrroles and derivatives
      • Subclass Porphyrins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrapyrroles and derivatives
• Subclass: Porphyrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Porphyrins
• Alternative Parents: Benzene and substituted derivatives Aryl bromides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
• 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

Associated Targets(non-human)

Trypanosoma brucei brucei (13300 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 620.300 g/mol
• XLogP3: 8.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 620.003 Da
• Monoisotopic Mass: 618.005 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 723.000
• 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