Cas no 94944-80-6 (3,3-((4-(tert-Butyl)phenyl)methylene)bis(1H-indole))

3,3-((4-(tert-Butyl)phenyl)methylene)bis(1H-indole) structure
94944-80-6 structure
Product Name:3,3-((4-(tert-Butyl)phenyl)methylene)bis(1H-indole)
CAS No:94944-80-6
MF:C27H26N2
MW:378.508746623993
CID:817835
PubChem ID:329825365
Update Time:2025-04-19

3,3-((4-(tert-Butyl)phenyl)methylene)bis(1H-indole) Chemical and Physical Properties

Names and Identifiers

    • 3,3-((4-(tert-Butyl)phenyl)methylene)bis(1H-indole)
    • 3,3'-[[4-(tert-butyl)phenyl]methylene]bis(1H-indole)
    • 3-[(4-tert-butylphenyl)-(1H-indol-3-yl)methyl]-1H-indole
    • 1,1-Bis(3-indolyl)-1-(p-t-butylphenyl)methane
    • 3,3′-[[4-(1,1-Dimethylethyl)phenyl]methylene]bis-1H-indole
    • 3,3'-[(4-tert-Butylphenyl)methylene]di(1H-indole)
    • 3,3'-((4-(tert-Butyl)phenyl)methylene)bis(1H-indole)
    • DIM-C-pPhtBu
    • SCHEMBL3342671
    • DIM-C-pPhtBu, >=96% (HPLC)
    • NS00066589
    • 94944-80-6
    • 3-[(4-TERT-BUTYLPHENYL)(1H-INDOL-3-YL)METHYL]-1H-INDOLE
    • DTXSID60915207
    • EINECS 305-658-5
    • MDL: MFCD18082348
    • Inchi: 1S/C27H26N2/c1-27(2,3)19-14-12-18(13-15-19)26(22-16-28-24-10-6-4-8-20(22)24)23-17-29-25-11-7-5-9-21(23)25/h4-17,26,28-29H,1-3H3
    • InChI Key: NCPVEZRBHNDCIV-UHFFFAOYSA-N
    • SMILES: N1C2C=CC=CC=2C(=C1)C(C1C=CC(=CC=1)C(C)(C)C)C1=CNC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 378.209598838g/mol
  • Monoisotopic Mass: 378.209598838g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 511
  • 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: 7.2
  • Topological Polar Surface Area: 31.6?2

Experimental Properties

  • Density: 1.167
  • Boiling Point: 582.6°Cat760mmHg
  • Flash Point: 256.3°C
  • Refractive Index: 1.682
  • Solubility: DMSO: >15mg/mL

3,3-((4-(tert-Butyl)phenyl)methylene)bis(1H-indole) Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Storage Condition:?20°C
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