HuagongsheHuagongshe Chemistry Print Report · For research reference only
5,10-Bis-(4-carboxyphenyl)-15,20-dihexyl-porphyrin
Identifiers & Physical Properties
| Molecular formula | C46H46N4O4 |
|---|---|
| Average molar mass | 718.9 g/mol |
| Monoisotopic mass | 718.35190596 g/mol |
| SMILES | CCCCCCc1c2nc(c(CCCCCC)c3ccc([nH]3)c(-c3ccc(C(=O)O)cc3)c3nc(c(-c4ccc(C(=O)O)cc4)c4ccc1[nH]4)C=C3)C=C2 |
| InChIKey | IOANJVXQBBBNGE-UHFFFAOYSA-N |
| PubChem CID | 136102190 |
Chemical & Physical Properties
| XLogP | 12.1 |
|---|---|
| Topological polar surface area | 132 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 14 |
| Heavy atoms | 54 |
| Formal charge | 0 |
| Complexity | 1,100 |