About dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) (PubChem CID 164790075) has the molecular formula C58H72Au2P2+2
and a molecular weight of 1225.10 g/mol. Its IUPAC name is dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)).
Molecular Properties
| Compound Name | dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) |
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| PubChem CID | 164790075 |
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| Molecular Formula | C58H72Au2P2+2 |
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| Molecular Weight | 1225.10 g/mol |
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| Exact Mass | 1224.44 |
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| IUPAC Name | dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) |
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| SMILES | C1CCC([PH+](CCCC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2 |
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| InChI | InChI=1S/C28H52P2.2C15H9.2Au/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h25-28H,1-24H2;2*3-9H,10H2;;/q;2*-1;2*+1/p+2 |
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| InChIKey | HYKBDDROBGZOMM-UHFFFAOYSA-P |
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| XLogP | 15.91 |
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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 | 9 |
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| Heavy Atoms | 62 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1225.10 |
| LogP ≤ 5 | 15.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
The IUPAC name of dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) (CID 164790075) is dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)).
What is the SMILES notation for dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
The canonical SMILES for dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) is C1CCC([PH+](CCCC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
The InChIKey is HYKBDDROBGZOMM-UHFFFAOYSA-P. The full InChI is InChI=1S/C28H52P2.2C15H9.2Au/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h25-28H,1-24H2;2*3-9H,10H2;;/q;2*-1;2*+1/p+2.
What are the key properties of dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) has a molecular weight of 1225.10 g/mol, XLogP of 15.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) is sourced from PubChem (CID 164790075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).