HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5202913Generated: November 4, 2026
4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
https://huagongshe.com/en/chemical/5202913
Identifiers & Physical Properties
| CAS No. | 5573-22-8 |
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| Molecular formula | C41H44N3O6S2- |
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| Average molar mass | 738.9 g/mol |
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| Monoisotopic mass | 738.26715348 g/mol |
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| SMILES | CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)Cc3ccc(S(=O)(=O)[O-])cc3)C=C2)c2ccc(N(CC)Cc3ccc(S(=O)(=O)[O-])cc3)cc2)cc1 |
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| InChIKey | ILEMJEAHFBMGBL-UHFFFAOYSA-M |
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| PubChem CID | 5202913 |
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| DTXSID | DTXSID30409643 |
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Chemical & Physical Properties
| XLogP | 6.7 |
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| Topological polar surface area | 141 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 52 |
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| Formal charge | -1 |
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| Complexity | 1,350 |
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![4-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(4-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate molecular structure](/img/chemical/5202913.png)