TL;DR: 2,2':6',2''-Terpyridine, 4'-(9-anthracenyl)- (CAS 163087-28-3) is a chemical compound with molecular formula C29H19N3 and molecular weight 409.1579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine
Also Known As: 2,2':6',2''-Terpyridine, 4'-(9-anthracenyl)-, 4'-(Anthracen-9-yl)-2,2':6',2''-terpyridine, 4'-(9-Anthracenyl)-2,2':6',2''-terpyridine, 4-anthracen-9-yl-2,6-dipyridin-2-ylpyridine, 4-(9-anthryl)-2,6-bis(2-pyridyl)pyridine
| Molecular Formula | C29H19N3 |
| Molecular Weight | 409.1579 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.1579 Da |
| Heavy Atoms | 32 |
| Complexity | 559.0 |
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CC(=NC(=C4)C5=CC=CC=N5)C6=CC=CC=N6 |
| InChIKey | SBJMNAHBRGPXQA-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 2,2':6',2''-Terpyridine, 4'-(9-anthracenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 2,2':6',2''-Terpyridine, 4'-(9-anthracenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2':6',2''-Terpyridine, 4'-(9-anthracenyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2':6',2''-Terpyridine, 4'-(9-anthracenyl)- is 163087-28-3.
The molecular formula of 2,2':6',2''-Terpyridine, 4'-(9-anthracenyl)- is C29H19N3.
The molecular weight of 2,2':6',2''-Terpyridine, 4'-(9-anthracenyl)- is 409.1579 g/mol.
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