TL;DR: 1H,1'H-(3,3')biindolyl (CAS 136819-96-0) is a chemical compound with molecular formula C16H12N2 and molecular weight 232.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-indol-3-yl)-1H-indole
Also Known As: 1H,1'H-3,3'-biindole, 3,3'-Biindole, 3-(1H-indol-3-yl)-1H-indole, 3,3'-Diindolyl, 3,3'-Bi-1H-indole
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H12N2 |
| Molecular Weight | 232.10005 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 31.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.10005 Da |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C3=CNC4=CC=CC=C43 |
| InChIKey | WHJMXLYLQPXPSY-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1H,1'H-(3,3')biindolyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.6 Ų, 1H,1'H-(3,3')biindolyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H,1'H-(3,3')biindolyl has 2 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H,1'H-(3,3')biindolyl is 136819-96-0.
The molecular formula of 1H,1'H-(3,3')biindolyl is C16H12N2.
The molecular weight of 1H,1'H-(3,3')biindolyl is 232.10005 g/mol.
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