About disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium
disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium (PubChem CID 162499643) has the molecular formula C48H40Ag2P2+2
and a molecular weight of 894.53 g/mol. Its IUPAC name is disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium.
Molecular Properties
| Compound Name | disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium |
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| PubChem CID | 162499643 |
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| Molecular Formula | C48H40Ag2P2+2 |
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| Molecular Weight | 894.53 g/mol |
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| Exact Mass | 892.07 |
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| IUPAC Name | disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium |
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| SMILES | C[PH+](CC[PH+](C)c1ccccc1)c1ccccc1.[Ag+].[Ag+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12 |
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| InChI | InChI=1S/C16H20P2.2C16H9.2Ag/c1-17(15-9-5-3-6-10-15)13-14-18(2)16-11-7-4-8-12-16;2*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;;/h3-12H,13-14H2,1-2H3;2*3-11H;;/q;2*-1;2*+1/p+2 |
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| InChIKey | OSSHNYKQAHRKOW-UHFFFAOYSA-P |
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| XLogP | 11.18 |
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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 | 5 |
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| Heavy Atoms | 52 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 894.53 |
| LogP ≤ 5 | 11.18 |
| 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_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium?
The IUPAC name of disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium (CID 162499643) is disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium.
What is the SMILES notation for disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium?
The canonical SMILES for disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium is C[PH+](CC[PH+](C)c1ccccc1)c1ccccc1.[Ag+].[Ag+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium?
The InChIKey is OSSHNYKQAHRKOW-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H20P2.2C16H9.2Ag/c1-17(15-9-5-3-6-10-15)13-14-18(2)16-11-7-4-8-12-16;2*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;;/h3-12H,13-14H2,1-2H3;2*3-11H;;/q;2*-1;2*+1/p+2.
What are the key properties of disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium?
disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium has a molecular weight of 894.53 g/mol, XLogP of 11.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium is sourced from PubChem (CID 162499643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).