About (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)) (PubChem CID 162499402) has the molecular formula C62H44Au2P2+2
and a molecular weight of 1244.92 g/mol. Its IUPAC name is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)).
Molecular Properties
| Compound Name | (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)) |
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| PubChem CID | 162499402 |
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| Molecular Formula | C62H44Au2P2+2 |
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| Molecular Weight | 1244.92 g/mol |
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| Exact Mass | 1244.22 |
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| IUPAC Name | (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)) |
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| SMILES | [Au+].[Au+].[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2c(ccc3ccccc32)c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1 |
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| InChI | InChI=1S/C30H24P2.2C16H9.2Au/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16;;/h1-24H;2*3-11H;;/q;2*-1;2*+1/p+2 |
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| InChIKey | UDNWUYUHMFCWEK-UHFFFAOYSA-P |
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| XLogP | 12.52 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 66 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1244.92 |
| LogP ≤ 5 | 12.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))?
The IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)) (CID 162499402) is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)).
What is the SMILES notation for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))?
The canonical SMILES for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2c(ccc3ccccc32)c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))?
The InChIKey is UDNWUYUHMFCWEK-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H24P2.2C16H9.2Au/c1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16;;/h1-24H;2*3-11H;;/q;2*-1;2*+1/p+2.
What are the key properties of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+))?
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)) has a molecular weight of 1244.92 g/mol, XLogP of 12.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynylphenanthrene);bis(gold(1+)) is sourced from PubChem (CID 162499402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).