AC1NJDBR
2-(4-benzyl-11,12-diphenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)ethanol
Also Known As: 2-(2-benzyl-8,9-diphenyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethanol
CAS: 879567-40-5
| Molecular Formula | C28H23N5O |
|---|---|
| Molecular Weight | 445.19025 g/mol |
| LogP | 4.9961 |
| Topological Polar Surface Area | 68.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.19025 |
| Monoisotopic Mass | 445.19025 |
| Heavy Atoms | 34 |
| Complexity | 1571.4053 |
Chemical Identifiers
| CAS Number | 879567-40-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN3C=NC4=C(C3=N2)C(=C(N4CCO)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
AC1NJDBR (CAS 879567-40-5), with molecular formula C28H23N5O and molecular weight 445.19025 g/mol. IUPAC: 2-(4-benzyl-11,12-diphenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)ethanol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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