TL;DR: (3Z)-3-[(4-bromophenyl)methylidene]-1,4,5-triphenyl-4H-pyrro (CAS 155593-00-3) is a chemical compound with molecular formula C31H21BrN2O2 and molecular weight 532.0786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-bromophenyl)methylidene]-1,4,5-triphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione
Also Known As: (3Z)-3-[(4-bromophenyl)methylidene]-1,4,5-triphenyl-4H-pyrro
| Molecular Formula | C31H21BrN2O2 |
| Molecular Weight | 532.0786 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 532.0786 Da |
| Heavy Atoms | 36 |
| Complexity | 900.0 |
| SMILES | C1=CC=C(C=C1)C2C3=C(C(=O)N2C4=CC=CC=C4)N(C(=O)C3=CC5=CC=C(C=C5)Br)C6=CC=CC=C6 |
| InChIKey | NHYSBRYQSVIFPH-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that (3Z)-3-[(4-bromophenyl)methylidene]-1,4,5-triphenyl-4H-pyrro is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, (3Z)-3-[(4-bromophenyl)methylidene]-1,4,5-triphenyl-4H-pyrro exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-3-[(4-bromophenyl)methylidene]-1,4,5-triphenyl-4H-pyrro has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (3Z)-3-[(4-bromophenyl)methylidene]-1,4,5-triphenyl-4H-pyrro is 155593-00-3.
The molecular formula of (3Z)-3-[(4-bromophenyl)methylidene]-1,4,5-triphenyl-4H-pyrro is C31H21BrN2O2.
The molecular weight of (3Z)-3-[(4-bromophenyl)methylidene]-1,4,5-triphenyl-4H-pyrro is 532.0786 g/mol.
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