TL;DR: 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene (CAS 71382-44-0) is a chemical compound with molecular formula C18H13N and molecular weight 243.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-azapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene
Also Known As: Benz(a)anthracene-5,6-imine, Benz(a)anthracene 5,6-imine, 1a,11b-Dihydrobenz(3,4)anthra(1,2-b)azirine, 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene, 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirine
| Molecular Formula | C18H13N |
| Molecular Weight | 243.1048 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 21.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.1048 Da |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
| SMILES | C1=CC=C2C=C3C4=CC=CC=C4C5C(C3=CC2=C1)N5 |
| InChIKey | GGVKUQCQYUOKBM-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.9 Ų, 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene is 71382-44-0.
The molecular formula of 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene is C18H13N.
The molecular weight of 1a,11b-Dihydro-1H-tetrapheno[5,6-b]azirene is 243.1048 g/mol.
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