About CID 177454667
CID 177454667 (PubChem CID 177454667) has the molecular formula C29H41AsGeN2
and a molecular weight of 565.19 g/mol.
Molecular Properties
| Compound Name | CID 177454667 |
|---|
| PubChem CID | 177454667 |
|---|
| Molecular Formula | C29H41AsGeN2 |
|---|
| Molecular Weight | 565.19 g/mol |
|---|
| Exact Mass | 566.17 |
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| IUPAC Name | — |
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| SMILES | C/C(=C/C(C)=N/c1ccc(C(C)C)cc1C(C)C)N([Ge]=[As])c1c(C(C)C)cccc1C(C)C |
|---|
| InChI | InChI=1S/C29H41AsGeN2/c1-18(2)24-14-15-28(27(17-24)21(7)8)32-22(9)16-23(10)33(31-30)29-25(19(3)4)12-11-13-26(29)20(5)6/h11-21H,1-10H3/b23-16-,32-22+ |
|---|
| InChIKey | QBNMJCKNZKXRCX-ZCEPRWBOSA-N |
|---|
| XLogP | 8.39 |
|---|
| TPSA | 15.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 33 |
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| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 565.19 |
| LogP ≤ 5 | 8.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 177454667?
The IUPAC name of CID 177454667 (CID 177454667) is not available.
What is the SMILES notation for CID 177454667?
The canonical SMILES for CID 177454667 is C/C(=C/C(C)=N/c1ccc(C(C)C)cc1C(C)C)N([Ge]=[As])c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of CID 177454667?
The InChIKey is QBNMJCKNZKXRCX-ZCEPRWBOSA-N. The full InChI is InChI=1S/C29H41AsGeN2/c1-18(2)24-14-15-28(27(17-24)21(7)8)32-22(9)16-23(10)33(31-30)29-25(19(3)4)12-11-13-26(29)20(5)6/h11-21H,1-10H3/b23-16-,32-22+.
What are the key properties of CID 177454667?
CID 177454667 has a molecular weight of 565.19 g/mol, XLogP of 8.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177454667 is sourced from PubChem (CID 177454667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).