Cas no 94545-16-1 (1,1''-butane-1,4-diylbis(1H-indole))

1,1''-butane-1,4-diylbis(1H-indole) structure
94545-16-1 structure
Product Name:1,1''-butane-1,4-diylbis(1H-indole)
CAS No:94545-16-1
MF:C20H20N2
MW:288.386204719543
CID:1001054
PubChem ID:316313
Update Time:2025-04-20

1,1''-butane-1,4-diylbis(1H-indole) Chemical and Physical Properties

Names and Identifiers

    • 1,1''-butane-1,4-diylbis(1H-indole)
    • 1-(4-indol-1-ylbutyl)indole
    • 1,4-di(indol-1-yl)butane
    • IYTCVCIPYHQQPJ-UHFFFAOYSA-N
    • Butane, 1,4-di(1-indolyl)-
    • 1,1'-butane-1,4-diylbis(1 h -indole)
    • 1,4-Bis-(indol-1-yl)-butane
    • DTXSID00311562
    • NSC-243874
    • BDBM50297261
    • CHEMBL558849
    • NSC243874
    • 94545-16-1
    • 1-[4-(1H-Indol-1-yl)butyl]-1H-indole #
    • 1H-Indole, 1,1'-(1,4-butanediyl)bis-
    • Inchi: 1S/C20H20N2/c1-3-9-19-17(7-1)11-15-21(19)13-5-6-14-22-16-12-18-8-2-4-10-20(18)22/h1-4,7-12,15-16H,5-6,13-14H2
    • InChI Key: IYTCVCIPYHQQPJ-UHFFFAOYSA-N
    • SMILES: N1(C=CC2C=CC=CC1=2)CCCCN1C=CC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 288.162648646g/mol
  • Monoisotopic Mass: 288.162648646g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 322
  • 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
  • XLogP3: 4.4
  • Topological Polar Surface Area: 9.9?2
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