2-(2-Naphthyl)indole - ≥98% , CAS No.23746-81-8

CAS: 23746-81-8 Cat. No.: N159681 Summenformel: C₁₈H₁₃N Molekulargewicht: 243.31 Beilstein Registry Number: 20(5)8,527

GRADE & PURITY ≥98%

Synonyms

2-(2-naphthyl)-1h-indole | 2-(2-Indolyl)naphthalene | T72128 | SCHEMBL4109053 | 2-naphthalen-2-yl-1H-indole | HMS558E08 | 2-(2-naphthyl)-indol | Maybridge1_005904 | YAA74681 | NCIOpen2_006768 | MFCD00124144 | AKOS005402809 | CCG-380 | FT-0608496 | STK1279

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

It is used in the catalytic enantioselective addition of indoles to arylnitroalkenes.

Specifications

Synonyme

2-(2-naphthyl)-1h-indole | 2-(2-Indolyl)naphthalene | T72128 | SCHEMBL4109053 | 2-naphthalen-2-yl-1H-indole | HMS558E08 | 2-(2-naphthyl)-indol | Maybridge1_005904 | YAA74681 | NCIOpen2_006768 | MFCD00124144 | AKOS005402809 | CCG-380 | FT-0608496 | STK1279

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488189153

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189153

Kanonisches Lächeln

C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4N3

IUPAC Name

2-naphthalen-2-yl-1H-indole

InChIKey

CACDYUNTCMPDMI-UHFFFAOYSA-N

INCHI

1S/C18H13N/c1-2-6-14-11-16(10-9-13(14)5-1)18-12-15-7-3-4-8-17(15)19-18/h1-12,19H

Isomere SMILES

C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4N3

Molekulargewicht

243.31

Beilstein

20(5)8,527

Reaxy-Rn

177582

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=177582&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Indoles Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Indole or derivatives - Indole - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Zugehörige Ziele (nicht menschlich)

Plasmodium berghei (192651 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO.
• Empfindlichkeit: Air sensitive
• Schmelzpunkt (°C): 204 °C
• Molekulargewicht: 243.300 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 243.105 Da
• Monoisotopic Mass: 243.105 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 313.000
• 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