Cas no 139417-53-1 (Benzenamine,4-(10H-phenothiazin-10-yl)-N,N-bis[4-(10H-phenothiazin-10-yl)phenyl]-)

Benzenamine,4-(10H-phenothiazin-10-yl)-N,N-bis[4-(10H-phenothiazin-10-yl)phenyl]- structure
139417-53-1 structure
Product Name:Benzenamine,4-(10H-phenothiazin-10-yl)-N,N-bis[4-(10H-phenothiazin-10-yl)phenyl]-
CAS No:139417-53-1
MF:C54H36N4S3
MW:837.085448265076
CID:1269720
Update Time:2024-08-03

Benzenamine,4-(10H-phenothiazin-10-yl)-N,N-bis[4-(10H-phenothiazin-10-yl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine,4-(10H-phenothiazin-10-yl)-N,N-bis[4-(10H-phenothiazin-10-yl)phenyl]-
    • Benzenamine, 4-(10H-phenothiazin-10-yl)-N,N-bis[4-(10H-phenothiazin-10-yl)phenyl]-
    • Inchi: 1S/C54H36N4S3/c1-7-19-49-43(13-1)56(44-14-2-8-20-50(44)59-49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-45-15-3-9-21-51(45)60-52-22-10-4-16-46(52)57)39-29-35-42(36-30-39)58-47-17-5-11-23-53(47)61-54-24-12-6-18-48(54)58/h1-36H
    • InChI Key: RWCMEUKEAWCERI-UHFFFAOYSA-N
    • SMILES: C1(N(C2=CC=C(N3C4=CC=CC=C4SC4=C3C=CC=C4)C=C2)C2=CC=C(N3C4=CC=CC=C4SC4=C3C=CC=C4)C=C2)=CC=C(N2C3=CC=CC=C3SC3=C2C=CC=C3)C=C1

Computed Properties

  • Exact Mass: 836.21058

Experimental Properties

  • Density: 1.361±0.06 g/cm3(Predicted)
  • PSA: 12.96
  • pka: -2.47±0.20(Predicted)
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