Cas no 130189-66-1 (Phenol,4,4'-[(6,12-diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis(nitrilomethylidyne)]bis-(9CI))

Phenol,4,4'-[(6,12-diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis(nitrilomethylidyne)]bis-(9CI) structure
130189-66-1 structure
Product Name:Phenol,4,4'-[(6,12-diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis(nitrilomethylidyne)]bis-(9CI)
CAS No:130189-66-1
MF:C40H28N4O2
MW:596.675929069519
CID:144838
PubChem ID:3076112
Update Time:2025-04-19

Phenol,4,4'-[(6,12-diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis(nitrilomethylidyne)]bis-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Phenol,4,4'-[(6,12-diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis(nitrilomethylidyne)]bis-(9CI)
    • 4-[[[(6Z,12Z)-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]amino]methylidene]cyclohexa-2,5-dien-1-one
    • 4,4'-((6,12-Diphenyldibenzo(b,f)(1,5)diazocine-2,8-diyl)bis(nitrilomethylidyne))bisphenol
    • Phenol, 4,4'-((6,12-diphenyldibenzo(b,f)(1,5)diazocine-2,8-diyl)bis(nitrilomethylidyne))bis-
    • 130189-66-1
    • BRN 4220037
    • Inchi： 1S/C40H28N4O2/c45-33-17-11-27(12-18-33)25-41-31-15-21-37-35(23-31)39(29-7-3-1-4-8-29)43-38-22-16-32(42-26-28-13-19-34(46)20-14-28)24-36(38)40(44-37)30-9-5-2-6-10-30/h1-26,45-46H/b39-35-,40-36-,41-25+,42-26+,43-38-,43-39-,44-37-,44-40-
    • InChI Key： YUURKQMGKXTFNR-AQRXLORZSA-N
    • SMILES： OC1C=CC(=CC=1)/C=N/C1C=CC2=C(C=1)C(C1C=CC=CC=1)=NC1C=CC(=CC=1C(C1C=CC=CC=1)=N2)/N=C/C1C=CC(=CC=1)O |c:24,40|

Computed Properties

  • Exact Mass: 596.22144
  • Monoisotopic Mass: 596.22122615g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 6
  • Complexity: 1000
  • 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: 8.3
  • Topological Polar Surface Area: 89.9?2

Experimental Properties

  • PSA: 82.92

Phenol,4,4'-[(6,12-diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis(nitrilomethylidyne)]bis-(9CI) Related Literature

130189-66-1 (Phenol,4,4'-[(6,12-diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis(nitrilomethylidyne)]bis-(9CI)) Related Products

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