About 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione
5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione (PubChem CID 140821941) has the molecular formula C27H19NO2Se2
and a molecular weight of 547.37 g/mol. Its IUPAC name is 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione.
Molecular Properties
| Compound Name | 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione |
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| PubChem CID | 140821941 |
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| Molecular Formula | C27H19NO2Se2 |
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| Molecular Weight | 547.37 g/mol |
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| Exact Mass | 548.97 |
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| IUPAC Name | 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione |
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| SMILES | CC1(C)c2ccccc2N(c2ccc(C=C3C(=O)c4c[se]cc4C3=O)[se]2)c2ccccc21 |
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| InChI | InChI=1S/C27H19NO2Se2/c1-27(2)20-7-3-5-9-22(20)28(23-10-6-4-8-21(23)27)24-12-11-16(32-24)13-17-25(29)18-14-31-15-19(18)26(17)30/h3-15H,1-2H3 |
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| InChIKey | XCUVLYSTAQCLIN-UHFFFAOYSA-N |
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| XLogP | 5.37 |
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| TPSA | 37.38 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 547.37 |
| LogP ≤ 5 | 5.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione?
The IUPAC name of 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione (CID 140821941) is 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione.
What is the SMILES notation for 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione?
The canonical SMILES for 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione is CC1(C)c2ccccc2N(c2ccc(C=C3C(=O)c4c[se]cc4C3=O)[se]2)c2ccccc21.
What is the InChIKey of 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione?
The InChIKey is XCUVLYSTAQCLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO2Se2/c1-27(2)20-7-3-5-9-22(20)28(23-10-6-4-8-21(23)27)24-12-11-16(32-24)13-17-25(29)18-14-31-15-19(18)26(17)30/h3-15H,1-2H3.
What are the key properties of 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione?
5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione has a molecular weight of 547.37 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(9,9-dimethylacridin-10-yl)selenophen-2-yl]methylidene]cyclopenta[c]selenophene-4,6-dione is sourced from PubChem (CID 140821941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).