Cas no 57412-08-5 (Phenol, 4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl]-)

Phenol, 4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl]- structure
57412-08-5 structure
Product Name:Phenol, 4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl]-
CAS No:57412-08-5
MF:C47H36N4O
MW:672.815
CID:3485439
PubChem ID:135442181
Update Time:2024-11-08

Phenol, 4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl]-
    • SCHEMBL6853381
    • F75385
    • 57412-08-5
    • BS-47837
    • 4-[7,12,17-tris(4-methylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1(3),?.1?,(1)(1).1(1)(3),(1)?]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]phenol
    • 4-(10,15,20-Tri-p-tolylporphyrin-5-yl)phenol
    • 5-(4-hydroxyphenyl)-10,15,20-tri(p-tolyl) porphyrin
    • Inchi: InChI=1S/C47H36N4O/c1-28-4-10-31(11-5-28)44-36-20-22-38(48-36)45(32-12-6-29(2)7-13-32)40-24-26-42(50-40)47(34-16-18-35(52)19-17-34)43-27-25-41(51-43)46(39-23-21-37(44)49-39)33-14-8-30(3)9-15-33/h4-27,48,51-52H,1-3H3
    • InChI Key: UMDDEGXFFTXCNF-UHFFFAOYSA-N
    • SMILES: CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)O)C=C4)C9=CC=C(C=C9)C)N3

Computed Properties

  • Exact Mass: 672.28891178g/mol
  • Monoisotopic Mass: 672.28891178g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 4
  • Complexity: 1130
  • 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: 11.1
  • Topological Polar Surface Area: 77.6?2

Phenol, 4-[10,15,20-tris(4-methylphenyl)-21H,23H-porphin-5-yl]- Pricemore >>

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