TL;DR: 9,10-Dihydroxy-9,10-bis(phenylethynyl)-9,10-dihydroanthracene (CAS 14825-85-5) is a chemical compound with molecular formula C30H20O2 and molecular weight 412.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,10-bis(2-phenylethynyl)anthracene-9,10-diol
Also Known As: 9,10-Bis(phenylethynyl)-9,10-dihydroanthracene-9,10-diol, 9,10-bis(2-phenylethynyl)anthracene-9,10-diol, 9,10-Anthracenediol, 9,10-dihydro-9,10-bis(phenylethynyl)-, 9, 9,10-dihydro-9,10-bis(phenylethynyl)-, J2.504.273E
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C30H20O2 |
| Molecular Weight | 412.14633 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.14633 Da |
| Heavy Atoms | 32 |
| Complexity | 696.0 |
| SMILES | C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(C4=CC=CC=C42)(C#CC5=CC=CC=C5)O)O |
| InChIKey | QLNUHXMKEJWHAP-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 9,10-Dihydroxy-9,10-bis(phenylethynyl)-9,10-dihydroanthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 9,10-Dihydroxy-9,10-bis(phenylethynyl)-9,10-dihydroanthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Dihydroxy-9,10-bis(phenylethynyl)-9,10-dihydroanthracene has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9,10-Dihydroxy-9,10-bis(phenylethynyl)-9,10-dihydroanthracene is 14825-85-5.
The molecular formula of 9,10-Dihydroxy-9,10-bis(phenylethynyl)-9,10-dihydroanthracene is C30H20O2.
The molecular weight of 9,10-Dihydroxy-9,10-bis(phenylethynyl)-9,10-dihydroanthracene is 412.14633 g/mol.
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