Cas no 138606-33-4 (7-[(7-methyltetraphen-12-yl)methyl]-7H-purin-6-amine)

7-[(7-methyltetraphen-12-yl)methyl]-7H-purin-6-amine structure
138606-33-4 structure
Product Name:7-[(7-methyltetraphen-12-yl)methyl]-7H-purin-6-amine
CAS No:138606-33-4
MF:C25H19N5
MW:389.451864480972
CID:1263995
PubChem ID:178508
Update Time:2025-04-20

7-[(7-methyltetraphen-12-yl)methyl]-7H-purin-6-amine Chemical and Physical Properties

Names and Identifiers

    • 7-[(7-methyltetraphen-12-yl)methyl]-7H-purin-6-amine
    • 7-[(7-methylbenzo[a]anthracen-12-yl)methyl]purin-6-amine
    • 138606-33-4
    • 7H-Purin-6-amine, 7-((7-methylbenz[a]anthracen-12-yl)methyl)-
    • DTXSID90160728
    • 7H-Purin-6-amine, 7-((7-methylbenz(a)anthracen-12-yl)methyl)-
    • Inchi: 1S/C25H19N5/c1-15-17-7-4-5-9-20(17)21(12-30-14-29-25-23(30)24(26)27-13-28-25)22-18(15)11-10-16-6-2-3-8-19(16)22/h2-11,13-14H,12H2,1H3,(H2,26,27,28)
    • InChI Key: LRVAZCXGIKBTHO-UHFFFAOYSA-N
    • SMILES: N1(C=NC2C1=C(N)N=CN=2)CC1C2C=CC=CC=2C(C)=C2C=CC3C=CC=CC=3C=12

Computed Properties

  • Exact Mass: 389.16427
  • Monoisotopic Mass: 389.16404563g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 2
  • Complexity: 612
  • 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: 5.4
  • Topological Polar Surface Area: 69.6?2

Experimental Properties

  • PSA: 69.62
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