HuagongsheHuagongshe Chemistry Print Report · For research reference only
5,10-Dihexyl-15,20-bis-(4-methoxycarbonylphenyl)-porphyrin
Identifiers & Physical Properties
| Molecular formula | C48H50N4O4 |
|---|---|
| Average molar mass | 746.9 g/mol |
| Monoisotopic mass | 746.38320609 g/mol |
| SMILES | CCCCCCc1c2nc(c(CCCCCC)c3ccc([nH]3)c(-c3ccc(C(=O)OC)cc3)c3nc(c(-c4ccc(C(=O)OC)cc4)c4ccc1[nH]4)C=C3)C=C2 |
| InChIKey | SMUPPDRWPYRTQD-UHFFFAOYSA-N |
| PubChem CID | 136102189 |
Chemical & Physical Properties
| XLogP | 12.8 |
|---|---|
| Topological polar surface area | 110 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 16 |
| Heavy atoms | 56 |
| Formal charge | 0 |
| Complexity | 1,130 |