Cas no 78541-56-7 (2-pyridin-4-yl-1h-imidazo[4,5-f][1,8]phenanthroline)

2-pyridin-4-yl-1h-imidazo[4,5-f][1,8]phenanthroline structure
78541-56-7 structure
Product Name:2-pyridin-4-yl-1h-imidazo[4,5-f][1,8]phenanthroline
CAS No:78541-56-7
MF:C18H11N5
MW:297.313442468643
CID:984255
PubChem ID:337413
Update Time:2025-04-20

2-pyridin-4-yl-1h-imidazo[4,5-f][1,8]phenanthroline Chemical and Physical Properties

Names and Identifiers

    • 2-pyridin-4-yl-1h-imidazo[4,5-f][1,8]phenanthroline
    • 78541-56-7
    • NSC-355337
    • NSC355337
    • DTXSID50320124
    • Inchi: 1S/C18H11N5/c1-2-13-15(21-6-1)12-5-9-20-10-14(12)17-16(13)22-18(23-17)11-3-7-19-8-4-11/h1-10H,(H,22,23)
    • InChI Key: CCDGVZUEYDPLQB-UHFFFAOYSA-N
    • SMILES: N1C(C2C=CN=CC=2)=NC2C3C=NC=CC=3C3=C(C=CC=N3)C1=2

Computed Properties

  • Exact Mass: 297.10163
  • Monoisotopic Mass: 297.10144537g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 424
  • 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: 2.5
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • PSA: 67.35
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