Cas no 67906-58-5 (1,5-bis[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]anthraquinone)

1,5-bis[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]anthraquinone structure
67906-58-5 structure
Product Name:1,5-bis[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]anthraquinone
CAS No:67906-58-5
MF:C70H36N4O10
MW:1093.05565738678
CID:967733
PubChem ID:16131245
Update Time:2025-04-19

1,5-bis[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]anthraquinone Chemical and Physical Properties

Names and Identifiers

    • 1,5-bis[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]anthraquinone
    • 1,1'-[(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diimino]bis{4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]anthracene-9,10-dione}
    • 1,5-Bis((4-((9,10-dihydro-9,10-dioxo-1-anthryl)amino)-9,10-dihydro-9,10-dioxo-1-anthryl)amino)anthraquinone
    • 1,5-Bis((4-(1-anthraquinonylamino)anthraquinonyl)amino)anthraquinone
    • 9,10-Anthracenedione, 1,5-bis((4-((9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-
    • 9,10-Anthracenedione, 1,5-bis[[4-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-
    • DTXSID8070835
    • EINECS 267-725-4
    • NS00036280
    • 67906-58-5
    • ZPFJIHDDNVNEOW-UHFFFAOYSA-N
    • Inchi： 1S/C70H36N4O10/c75-61-33-13-1-3-15-35(33)63(77)53-41(61)21-9-25-45(53)71-49-29-31-51(59-57(49)65(79)37-17-5-7-19-39(37)67(59)81)73-47-27-11-23-43-55(47)69(83)44-24-12-28-48(56(44)70(43)84)74-52-32-30-50(58-60(52)68(82)40-20-8-6-18-38(40)66(58)80)72-46-26-10-22-42-54(46)64(78)36-16-4-2-14-34(36)62(42)76/h1-32,71-74H
    • InChI Key： ZPFJIHDDNVNEOW-UHFFFAOYSA-N
    • SMILES： O=C1C2C=CC=C(C=2C(C2C=CC=C(C=21)NC1=CC=C(C2C(C3C=CC=CC=3C(C=21)=O)=O)NC1=CC=CC2C(C3C=CC=CC=3C(C1=2)=O)=O)=O)NC1=CC=C(C2C(C3C=CC=CC=3C(C=21)=O)=O)NC1=CC=CC2C(C3C=CC=CC=3C(C1=2)=O)=O

Computed Properties

  • Exact Mass: 1092.24328
  • Monoisotopic Mass: 1092.24314336g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 84
  • Rotatable Bond Count: 8
  • Complexity: 2540
  • 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: 15
  • Topological Polar Surface Area: 219?2

Experimental Properties

  • PSA: 218.82

1,5-bis[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]anthraquinone Related Literature

67906-58-5 (1,5-bis[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]anthraquinone) Related Products

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