Cas no 518-06-9 (1H-Indole,3,3',3''-methylidynetris-)

1H-Indole,3,3',3''-methylidynetris- structure
518-06-9 structure
Product Name:1H-Indole,3,3',3''-methylidynetris-
CAS No:518-06-9
MF:C25H19N3
MW:361.438465356827
CID:380325
PubChem ID:254323
Update Time:2025-04-19

1H-Indole,3,3',3''-methylidynetris- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole,3,3',3''-methylidynetris-
    • 3-[bis(1H-indol-3-yl)methyl]-1H-indole
    • 1,1,1-tris(3-indolyl)methane
    • 3,3',3''-methanetriyltris(1h-indole)
    • AC1L5Q00
    • AC1Q1HUA
    • AN-655
    • CHEMBL522998
    • NCIOpen2_008913
    • NSC78570
    • SureCN8592636
    • DTXSID80291833
    • AKOS000356564
    • AN-655/14907014
    • CHEBI:211001
    • 3-[di(1H-indol-3-yl)methyl]-1H-indole
    • SCHEMBL8592636
    • NCGC00184064-02
    • 1H-Indole, 3,3',3''-methylidynetris-
    • NCGC00184064-01
    • NSC-78570
    • tri(3-indolyl)methane
    • 518-06-9
    • Inchi: 1S/C25H19N3/c1-4-10-22-16(7-1)19(13-26-22)25(20-14-27-23-11-5-2-8-17(20)23)21-15-28-24-12-6-3-9-18(21)24/h1-15,25-28H
    • InChI Key: AXZRNKFNIAOZEK-UHFFFAOYSA-N
    • SMILES: N1C2C=CC=CC=2C(=C1)C(C1=CNC2C=CC=CC1=2)C1=CNC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 361.15807
  • Monoisotopic Mass: 361.157898
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 3
  • Complexity: 474
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 47.4
  • XLogP3: 5.7

Experimental Properties

  • Density: 1.338
  • Boiling Point: 660.7°C at 760 mmHg
  • Flash Point: 299°C
  • Refractive Index: 1.813
  • PSA: 47.37
  • LogP: 6.31070
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