Cas no 130189-62-7 (Acetamide,N,N'-(6,12-diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis- (9CI))

Acetamide,N,N'-(6,12-diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis- (9CI) structure
130189-62-7 structure
Product Name:Acetamide,N,N'-(6,12-diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis- (9CI)
CAS No:130189-62-7
MF:C30H24N4O2
MW:472.537166595459
CID:185934
PubChem ID:5747727
Update Time:2025-04-19

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

Names and Identifiers

    • Acetamide,N,N'-(6,12-diphenyldibenzo[b,f][1,5]diazocine-2,8-diyl)bis- (9CI)
    • N-[(6Z,12Z)-2-acetamido-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]acetamide
    • 1,8-Diacetamido-6,12-diphenyldibenzo(b,f)(1,5)diazocine
    • Acetamide, N,N'-(6,12-diphenyldibenzo(b,f)(1,5)diazocine-2,8-diyl)bis-
    • 130189-62-7
    • BRN 4215035
    • Inchi: 1S/C30H24N4O2/c1-19(35)31-23-13-15-27-25(17-23)29(21-9-5-3-6-10-21)34-28-16-14-24(32-20(2)36)18-26(28)30(33-27)22-11-7-4-8-12-22/h3-18H,1-2H3,(H,31,35)(H,32,36)/b29-25-,30-26-,33-27-,33-30-,34-28-,34-29-
    • InChI Key: BDPAADFEOANKJX-CBGMJKNYSA-N
    • SMILES: O=C(C)NC1C=CC2C(C=1)=C(C1C=CC=CC=1)N=C1C=CC(=CC1=C(C1C=CC=CC=1)N=2)NC(C)=O |t:10,19,26,35|

Computed Properties

  • Exact Mass: 472.19012
  • Monoisotopic Mass: 472.18992602g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 4
  • Complexity: 1100
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 82.9?2

Experimental Properties

  • PSA: 82.92
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