Cas no 66181-84-8 (1,4,5,8-tetrakis(phenylamino)anthraquinone)

1,4,5,8-tetrakis(phenylamino)anthraquinone structure
66181-84-8 structure
Product Name:1,4,5,8-tetrakis(phenylamino)anthraquinone
CAS No:66181-84-8
MF:C38H28N4O2
MW:572.654528617859
CID:963442
PubChem ID:105321
Update Time:2025-04-19

1,4,5,8-tetrakis(phenylamino)anthraquinone Chemical and Physical Properties

Names and Identifiers

    • 1,4,5,8-tetrakis(phenylamino)anthraquinone
    • 1,4,5,8-tetraanilinoanthracene-9,10-dione
    • 1,4,5,8-Tetraanilino-9,10-anthracenedione
    • 1,4,5,8-tetrakis(phenylamino)anthracene-9,10-dione
    • 9,10-Anthracenedione, 1,4,5,8-tetrakis(phenylamino)-
    • YFGXHOXJMJBGNY-UHFFFAOYSA-N
    • NS00035969
    • DTXSID1070430
    • SCHEMBL1476308
    • 66181-84-8
    • EINECS 266-223-2
    • Inchi： 1S/C38H28N4O2/c43-37-33-29(39-25-13-5-1-6-14-25)21-22-30(40-26-15-7-2-8-16-26)34(33)38(44)36-32(42-28-19-11-4-12-20-28)24-23-31(35(36)37)41-27-17-9-3-10-18-27/h1-24,39-42H
    • InChI Key： YFGXHOXJMJBGNY-UHFFFAOYSA-N
    • SMILES： O=C1C2C(=CC=C(C=2C(C2C(=CC=C(C=21)NC1C=CC=CC=1)NC1C=CC=CC=1)=O)NC1C=CC=CC=1)NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 572.22144
  • Monoisotopic Mass: 572.221
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 8
  • Complexity: 801
  • 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: 10.1
  • Topological Polar Surface Area: 82.3?2

Experimental Properties

  • Density: 1.353
  • Boiling Point: 790.6°C at 760 mmHg
  • Flash Point: 203.3°C
  • Refractive Index: 1.771
  • PSA: 82.26

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