About CID 170930505
CID 170930505 (PubChem CID 170930505) has the molecular formula C26H19IrN2-
and a molecular weight of 554.69 g/mol.
Molecular Properties
| Compound Name | CID 170930505 |
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| PubChem CID | 170930505 |
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| Molecular Formula | C26H19IrN2- |
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| Molecular Weight | 554.69 g/mol |
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| Exact Mass | 555.14 |
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| IUPAC Name | — |
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| SMILES | [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]cccc2)c2ccccc2c2ccccc2c2ccccc21.[Ir] |
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| InChI | InChI=1S/C26H19N2.Ir/c1-27-19-28(20-11-3-2-4-12-20)26-18-10-8-16-24(26)22-14-6-5-13-21(22)23-15-7-9-17-25(23)27;/h2-11,13-18H,1H3;/q-1;/i1D3; |
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| InChIKey | CBHAYJSCDMZJMJ-NIIDSAIPSA-N |
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| XLogP | 5.48 |
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| TPSA | 8.81 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 554.69 |
| LogP ≤ 5 | 5.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 170930505?
The IUPAC name of CID 170930505 (CID 170930505) is not available.
What is the SMILES notation for CID 170930505?
The canonical SMILES for CID 170930505 is [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]cccc2)c2ccccc2c2ccccc2c2ccccc21.[Ir].
What is the InChIKey of CID 170930505?
The InChIKey is CBHAYJSCDMZJMJ-NIIDSAIPSA-N. The full InChI is InChI=1S/C26H19N2.Ir/c1-27-19-28(20-11-3-2-4-12-20)26-18-10-8-16-24(26)22-14-6-5-13-21(22)23-15-7-9-17-25(23)27;/h2-11,13-18H,1H3;/q-1;/i1D3;.
What are the key properties of CID 170930505?
CID 170930505 has a molecular weight of 554.69 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170930505 is sourced from PubChem (CID 170930505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).