Rhodanile blue
2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]benzamide chloride
| Molecular Formula | C48H48ClN5O3 |
|---|---|
| Molecular Weight | 778.4 g/mol |
| Topological Polar Surface Area | 61.7 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 777.34454 |
| Heavy Atoms | 57 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 14969-56-3 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC(=O)C5=CC=CC=C5C6=C7C=CC(=CC7=[O+]C8=C6C=CC(=C8)N(CC)CC)N(CC)CC)C=C3O2.[Cl-] |
| InChIKey | UYQVPCFMVWEDCA-UHFFFAOYSA-M |
📖 Product Overview
Rhodanile blue (CAS: 14969-56-3) is a chemical compound with molecular formula C48H48ClN5O3 and molecular weight 778.4 g/mol. Its IUPAC systematic name is 2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]benzamide chloride.
UYQVPCFMVWEDCA-UHFFFAOYSA-M.
SMILES: CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC(=O)C5=CC=CC=C5C6=C7C=CC(=CC7=[O+]C8=C6C=CC(=C8)N(CC)CC)N(CC)CC)C=C3O2.[Cl-].
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