Cas no 2987-68-0 (Benzamide,N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis- (9CI))

Benzamide,N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis- (9CI) structure
2987-68-0 structure
Product Name:Benzamide,N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis- (9CI)
CAS No:2987-68-0
MF:C28H18N2O4
MW:446.453526973724
CID:257074
PubChem ID:72731
Update Time:2025-04-19

Benzamide,N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzamide,N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis- (9CI)
    • N-(4-benzamido-9,10-dioxoanthracen-1-yl)benzamide
    • 1,4-bisbenzoylamido-9,10-anthracenedione
    • 1,4-Bis-benzoylamino-anthrachinon
    • 1,4-bisbenzoylaminoanthraquinone
    • 1.4-Bis-benzamino-anthrachinon
    • C.I. Vat Red 42
    • Indanthren Red 5GK
    • Indanthrenrot 5 GK
    • N,N'-(9,10-dihydro-9,10-dioxoanthracene-1,4-diyl)bisbenzamide
    • n,n'-(9,10-dioxo-9,10-dihydroanthracene-1,4-diyl)dibenzamide
    • Romantrene Red F5GK
    • WNN6WV4DK4
    • Benzamide,N'-1,4-anthraquinonylenebis-
    • N-(4-benzamido-9, 10-dioxoanthracen-1-yl)benzamide
    • 1,4-Bis(benzoylamino)anthraquinone
    • NSC-7228
    • Benzadone Red 5G
    • 1,4-Dibenzamidoanthraquinone
    • 1,4-Dibenzoylaminoanthrachinon
    • AKOS002384306
    • N,N'-DIBENZOYL-1,4-DIAMINOANTHRAQUINONE
    • Vat Red 42
    • 1,4-bis-benzoylaminoanthraquinone
    • SMYVNUCSIRQQNT-UHFFFAOYSA-N
    • N-[4-(BENZOYLAMINO)-9,10-DIOXO-9,10-DIHYDRO-1-ANTHRACENYL]BENZAMIDE
    • SCHEMBL6419867
    • NSC7228
    • EINECS 221-058-5
    • 2987-68-0
    • NSC 7228
    • C.I. 61650
    • DTXSID40183987
    • UNII-WNN6WV4DK4
    • NS00021107
    • Benzamide,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-
    • Inchi： 1S/C28H18N2O4/c31-25-19-13-7-8-14-20(19)26(32)24-22(30-28(34)18-11-5-2-6-12-18)16-15-21(23(24)25)29-27(33)17-9-3-1-4-10-17/h1-16H,(H,29,33)(H,30,34)
    • InChI Key： SMYVNUCSIRQQNT-UHFFFAOYSA-N
    • SMILES： O=C1C2C=CC=CC=2C(C2C(=CC=C(C=21)NC(C1C=CC=CC=1)=O)NC(C1C=CC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 446.12700
  • Monoisotopic Mass: 446.127
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 4
  • Complexity: 732
  • 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: 12
  • XLogP3: 5.6
  • Topological Polar Surface Area: 92.3A^2

Experimental Properties

  • Density: 1.409
  • Boiling Point: 549.5°C at 760 mmHg
  • Flash Point: 156.3°C
  • Refractive Index: 1.74
  • PSA: 92.34000
  • LogP: 5.11260

Benzamide,N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis- (9CI) Related Literature

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