Anthra[2′′,1′′,9′′:4,5,6;6′′,5′′,10′′:4′,5′,6′]diisoquino[2,1-a:2′,1′-a′]diperimidine-12,25-dione

CAS Registry Number®

6859-32-1
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CAS Name

Anthra[2′′,1′′,9′′:4,5,6;6′′,5′′,10′′:4′,5′,6′]diisoquino[2,1-a:2′,1′-a′]diperimidine-12,25-dione

Molecular Formula

C44H20N4O2

Molecular Mass

636.66

Cite this Page

Anthra[2′′,1′′,9′′:4,5,6;6′′,5′′,10′′:4′,5′,6′]diisoquino[2,1-a:2′,1′-a′]diperimidine-12,25-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6859-32-1 (retrieved 2024-09-07) (CAS RN: 6859-32-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >500 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C44H20N4O2/c49-43-29-19-15-25-24-14-18-28-40-30(44(50)48-34-12-4-8-22-6-2-10-32(36(22)34)46-42(28)48)20-16-26(38(24)40)23-13-17-27(39(29)37(23)25)41-45-31-9-1-5-21-7-3-11-33(35(21)31)47(41)43/h1-20H

InChIKey

InChIKey=MDFFDZMXEZGZPB-UHFFFAOYSA-N

SMILES

O=C1C=2C3=C4C(C=5C=6C(C4=CC2)=CC=C7C6C(=CC5)C(=O)N8C7=NC=9C=%10C8=CC=CC%10C=CC9)=CC=C3C=%11N1C=%12C=%13C(N%11)=CC=CC%13C=CC%12

Canonical SMILES

O=C1C2=CC=C3C4=CC=C5C6=NC=7C=CC=C8C=CC=C(C78)N6C(=O)C=9C=CC(C=%10C=CC(C%11=NC%12=CC=CC=%13C=CC=C(C%12%13)N1%11)=C2C3%10)=C4C95

Other Names for this Substance

  • Anthra[2′′,1′′,9′′:4,5,6;6′′,5′′,10′′:4′,5′,6′]diisoquino[2,1-a:2′,1′-a′]diperimidine-12,25-dione

Deleted or Replaced CAS Registry Numbers

948552-15-6