Cas no 118891-85-3 (Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinolinium,2,9-dimethyl- (9CI))

Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinolinium,2,9-dimethyl- (9CI) structure
118891-85-3 structure
Product Name:Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinolinium,2,9-dimethyl- (9CI)
CAS No:118891-85-3
MF:C26H18N2
MW:358.434525966644
CID:144977
PubChem ID:3082940
Update Time:2025-04-19

Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinolinium,2,9-dimethyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinolinium,2,9-dimethyl- (9CI)
    • Dimethyldiazaperopyrenium
    • 2,9-dimethylisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinolinediium
    • Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinolinium, 2,9-dimethyl-
    • DTXSID20152257
    • 7,18-dimethyl-7,18-diazoniaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,7,10,13(23),14,16(24),17,19,21,25-tridecaene
    • 118891-85-3
    • SCHEMBL18329935
    • Inchi： 1S/C26H18N2/c1-27-11-15-3-7-19-21-9-5-17-13-28(2)14-18-6-10-22(26(21)24(17)18)20-8-4-16(12-27)23(15)25(19)20/h3-14H,1-2H3/q+2
    • InChI Key： PTLVVXTVVBIZIR-UHFFFAOYSA-N
    • SMILES： [N+]1(C)C=C2C=CC3=C4C=CC5=C[N+](C)=CC6C=CC(C7C=CC(C=1)=C2C=73)=C4C=65

Computed Properties

  • Exact Mass: 358.14714
  • Monoisotopic Mass: 358.146999
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 0
  • Complexity: 530
  • 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
  • Topological Polar Surface Area: 7.8
  • XLogP3: 6.3

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 7.76

Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinolinium,2,9-dimethyl- (9CI) Related Literature

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