Cas no 116-76-7 (9,10-Anthracenedione,1,4-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-)

9,10-Anthracenedione,1,4-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]- structure
116-76-7 structure
Product Name:9,10-Anthracenedione,1,4-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
CAS No:116-76-7
MF:C42H22N2O6
MW:650.633890628815
CID:140640
PubChem ID:5357684
Update Time:2025-04-19

9,10-Anthracenedione,1,4-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione,1,4-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
    • 1,4-bis[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]anthraquinone
    • 1,4-bis[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
    • 1,1'-(Anthraquinon-1,4-ylenediimino)dianthraquinone
    • 1,1',4',1''-Trianthrimide
    • 1,4-Bis(1-anthraquinonylamino)anthraquinone
    • 1,4-Bis-1'-anthrachinonylamino-anthrachinon
    • 1,4-Bis-1'-anthrachinonylamino-anthrachinon [Czech]
    • 1,4-Trianthrimid
    • 1,4-Trianthrimid [Czech]
    • 9,10-Anthracenedione, 1,4-bis((9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-
    • 1,4-Bis[(9,10-dihydro-9,10-dioxoanthracen-1-yl)amino]-9,10-anthracenedione
    • 1,4-Bis[(9,10-dihydro-9,10-dioxoanthracene-1-yl)amino]anthracene-9,10-dione
    • DTXSID2059437
    • WLN: L C666 BV IVJ DM- DL C666 BV IVJ GM- DL C666 BV IVJ
    • NSC84171
    • 9, 1,4-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
    • Anthraquinone,4-bis(1-anthraquinonylamino)-
    • ANTHRAQUINONE, 1,1'-(ANTHRAQUINON-1,4-YLENEDIIMINO)DI-
    • SCHEMBL10601717
    • 1,4-ylenediimino)dianthraquinone
    • UNII-QKR0EH1TD3
    • NSC-84171
    • 1,1'-((9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl)bis(azanediyl))bis(anthracene-9,10-dione)
    • NS00023764
    • 4-14-00-00464 (Beilstein Handbook Reference)
    • 1,4-Bis(1-anthraquinonylamino)-anthraquinone,tech
    • 116-76-7
    • 9,10-Anthracenedione, 1,4-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
    • EINECS 204-156-2
    • Anthraquinone, 1,4-bis(1-anthraquinonylamino)-
    • 1,4',1''-Trianthrimide
    • BRN 2932217
    • QKR0EH1TD3
    • NSC 84171
    • 1,4-BIS((9,10-DIHYDRO-9,10-DIOXO-1-ANTHRACENYL)AMINO)-9,10-ANTHRACENEDIONE
    • 1,4-Bis((9,10-dihydro-9,10-dioxo-1-anthryl)amino)anthraquinone
    • Anthraquinone,1'-(anthraquinon-1,4-ylenediimino)di-
    • Inchi： 1S/C42H22N2O6/c45-37-21-9-1-3-11-23(21)39(47)33-27(37)15-7-17-29(33)43-31-19-20-32(36-35(31)41(49)25-13-5-6-14-26(25)42(36)50)44-30-18-8-16-28-34(30)40(48)24-12-4-2-10-22(24)38(28)46/h1-20,43-44H
    • InChI Key： APWOKAUQXMGVOF-UHFFFAOYSA-N
    • SMILES： O=C1C2C=CC=CC=2C(C2C(=CC=C(C=21)NC1=CC=CC2C(C3C=CC=CC=3C(C1=2)=O)=O)NC1=CC=CC2C(C3C=CC=CC=3C(C1=2)=O)=O)=O

Computed Properties

  • Exact Mass: 650.14786
  • Monoisotopic Mass: 650.148
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 4
  • Complexity: 1330
  • 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
  • Surface Charge: 0
  • Tautomer Count: 34
  • XLogP3: 8.9
  • Topological Polar Surface Area: 127A^2

Experimental Properties

  • Density: 1.2598 (rough estimate)
  • Boiling Point: 677.71°C (rough estimate)
  • Flash Point: °C
  • Refractive Index: 1.4670 (estimate)
  • PSA: 126.48
  • LogP: 7.64600

9,10-Anthracenedione,1,4-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]- Security Information

  • Storage Condition：Warehouse ventilation and low temperature drying

9,10-Anthracenedione,1,4-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]- Related Literature

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