TL;DR: 1-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrrole (CAS 135985-78-3) is a chemical compound with molecular formula C14H12N2 and molecular weight 208.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-pyrrol-1-ylphenyl)pyrrole
Also Known As: 1-(4-pyrrol-1-ylphenyl)pyrrole, 1-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrrole, 1,4-bis(1h-pyrrol-1-yl)benzene, 1,1 -p-Phenylenebis(1H-pyrrole), 1,1'-(1,4-phenylene)bis-1H-pyrrole
| Molecular Formula | C14H12N2 |
| Molecular Weight | 208.10005 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 9.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.10005 Da |
| Heavy Atoms | 16 |
| Complexity | 185.0 |
| SMILES | C1=CN(C=C1)C2=CC=C(C=C2)N3C=CC=C3 |
| InChIKey | ZHLJNYILTKSSOZ-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrrole. With a topological polar surface area (TPSA) of 9.9 Ų, 1-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrrole has 0 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 1-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrrole is 135985-78-3.
The molecular formula of 1-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrrole is C14H12N2.
The molecular weight of 1-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrrole is 208.10005 g/mol.
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