About disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene)
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene) (PubChem CID 162499722) has the molecular formula C74H52Ag2P2+2
and a molecular weight of 1218.91 g/mol. Its IUPAC name is disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene).
Molecular Properties
| Compound Name | disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene) |
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| PubChem CID | 162499722 |
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| Molecular Formula | C74H52Ag2P2+2 |
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| Molecular Weight | 1218.91 g/mol |
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| Exact Mass | 1216.16 |
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| IUPAC Name | disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene) |
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| SMILES | [Ag+].[Ag+].[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
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| InChI | InChI=1S/C26H24P2.2C24H13.2Ag/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*1-2-22-23-14-18-9-5-3-7-16(18)11-20(23)13-21-12-17-8-4-6-10-19(17)15-24(21)22;;/h1-20H,21-22H2;2*3-15H;;/q;2*-1;2*+1/p+2 |
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| InChIKey | ZWPSBFVRBPGHEB-UHFFFAOYSA-P |
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| XLogP | 17.19 |
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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 | 7 |
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| Heavy Atoms | 78 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1218.91 |
| LogP ≤ 5 | 17.19 |
| 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;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene)?
The IUPAC name of disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene) (CID 162499722) is disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene).
What is the SMILES notation for disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene)?
The canonical SMILES for disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene) is [Ag+].[Ag+].[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.[C-]#Cc1c2cc3ccccc3cc2cc2cc3ccccc3cc12.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene)?
The InChIKey is ZWPSBFVRBPGHEB-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H24P2.2C24H13.2Ag/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*1-2-22-23-14-18-9-5-3-7-16(18)11-20(23)13-21-12-17-8-4-6-10-19(17)15-24(21)22;;/h1-20H,21-22H2;2*3-15H;;/q;2*-1;2*+1/p+2.
What are the key properties of disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene)?
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene) has a molecular weight of 1218.91 g/mol, XLogP of 17.19, 7 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(6-ethynylpentacene) is sourced from PubChem (CID 162499722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).