TL;DR: 15,23:16,22-Dimethenobenzo(1,2-a:5,4-a')dipentaphene (CAS 15123-47-4) is a chemical compound with molecular formula C48H24 and molecular weight 600.1878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tridecacyclo[26.18.2.03,44.06,43.08,41.011,40.013,38.016,37.018,35.021,34.023,32.026,31.029,46]octatetraconta-1(46),2,4,6,8(41),9,11,13(38),14,16,18(35),19,21(34),22,24,26(31),27,29,32,36,39,42,44,47-tetracosaene
Also Known As: kekulene, [12]kekulene, [12]Coronaphene, [12] CCoronaphen, J1.240.354B
| Molecular Formula | C48H24 |
| Molecular Weight | 600.1878 g/mol |
| XLogP | 15.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 600.1878 Da |
| Heavy Atoms | 48 |
| Complexity | 932.0 |
| SMILES | C1=CC2=CC3=C4C=C2C5=CC6=C(C=CC7=CC8=C(C=C76)C9=CC2=C(C=CC6=C2C=C2C(=C6)C=CC6=C2C=C4C(=C6)C=C3)C=C9C=C8)C=C51 |
| InChIKey | TYPKKLUFDMGLAC-UHFFFAOYSA-N |
The XLogP value of 15.0 indicates that 15,23:16,22-Dimethenobenzo(1,2-a:5,4-a')dipentaphene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 15,23:16,22-Dimethenobenzo(1,2-a:5,4-a')dipentaphene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 15,23:16,22-Dimethenobenzo(1,2-a:5,4-a')dipentaphene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 15,23:16,22-Dimethenobenzo(1,2-a:5,4-a')dipentaphene is 15123-47-4.
The molecular formula of 15,23:16,22-Dimethenobenzo(1,2-a:5,4-a')dipentaphene is C48H24.
The molecular weight of 15,23:16,22-Dimethenobenzo(1,2-a:5,4-a')dipentaphene is 600.1878 g/mol.
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