About disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene) (PubChem CID 162499763) has the molecular formula C62H48Ag2P2+2
and a molecular weight of 1070.75 g/mol. Its IUPAC name is disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene).
Molecular Properties
| Compound Name | disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene) |
| PubChem CID | 162499763 |
| Molecular Formula | C62H48Ag2P2+2 |
| Molecular Weight | 1070.75 g/mol |
| Exact Mass | 1068.13 |
| IUPAC Name | disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene) |
| SMILES | [Ag+].[Ag+].[C-]#Cc1cccc2c(-c3ccccc3)cccc12.[C-]#Cc1cccc2c(-c3ccccc3)cccc12.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C26H24P2.2C18H11.2Ag/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-2-14-10-6-13-18-16(14)11-7-12-17(18)15-8-4-3-5-9-15;;/h1-20H,21-22H2;2*3-13H;;/q;2*-1;2*+1/p+2 |
| InChIKey | IWPHTWKKXSGDDU-UHFFFAOYSA-P |
| XLogP | 13.60 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 9 |
| Heavy Atoms | 66 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 1070.75 |
| LogP ≤ 5 | 13.60 |
| 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': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)?
The IUPAC name of disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene) (CID 162499763) is disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene).
What is the SMILES notation for disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)?
The canonical SMILES for disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene) is [Ag+].[Ag+].[C-]#Cc1cccc2c(-c3ccccc3)cccc12.[C-]#Cc1cccc2c(-c3ccccc3)cccc12.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)?
The InChIKey is IWPHTWKKXSGDDU-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H24P2.2C18H11.2Ag/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-2-14-10-6-13-18-16(14)11-7-12-17(18)15-8-4-3-5-9-15;;/h1-20H,21-22H2;2*3-13H;;/q;2*-1;2*+1/p+2.
What are the key properties of disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)?
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene) has a molecular weight of 1070.75 g/mol, XLogP of 13.60, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene) is sourced from PubChem (CID 162499763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).