About ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine
ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine (PubChem CID 140819175) has the molecular formula C40H26AuN3O
and a molecular weight of 761.64 g/mol. Its IUPAC name is ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine.
Molecular Properties
| Compound Name | ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine |
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| PubChem CID | 140819175 |
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| Molecular Formula | C40H26AuN3O |
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| Molecular Weight | 761.64 g/mol |
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| Exact Mass | 761.17 |
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| IUPAC Name | ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine |
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| SMILES | [Au+3].[C-]#Cc1ccccc1.[c-]1c(Oc2ccccn2)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)[n-]1 |
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| InChI | InChI=1S/C32H21N3O.C8H5.Au/c1-3-10-23(11-4-1)24-17-19-26(20-18-24)31-30(25-12-5-2-6-13-25)34-32(35-31)27-14-9-15-28(22-27)36-29-16-7-8-21-33-29;1-2-8-6-4-3-5-7-8;/h1-21H;3-7H;/q-2;-1;+3 |
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| InChIKey | MHAFOKUPDMWVLA-UHFFFAOYSA-N |
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| XLogP | 9.32 |
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| TPSA | 49.11 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 45 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 761.64 |
| LogP ≤ 5 | 9.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine?
The IUPAC name of ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine (CID 140819175) is ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine.
What is the SMILES notation for ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine?
The canonical SMILES for ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine is [Au+3].[C-]#Cc1ccccc1.[c-]1c(Oc2ccccn2)cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)[n-]1.
What is the InChIKey of ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine?
The InChIKey is MHAFOKUPDMWVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O.C8H5.Au/c1-3-10-23(11-4-1)24-17-19-26(20-18-24)31-30(25-12-5-2-6-13-25)34-32(35-31)27-14-9-15-28(22-27)36-29-16-7-8-21-33-29;1-2-8-6-4-3-5-7-8;/h1-21H;3-7H;/q-2;-1;+3.
What are the key properties of ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine?
ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine has a molecular weight of 761.64 g/mol, XLogP of 9.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethynylbenzene;gold(3+);2-[3-[4-phenyl-5-(4-phenylphenyl)imidazol-3-id-2-yl]benzene-2-id-1-yl]oxypyridine is sourced from PubChem (CID 140819175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).