2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))

C57H48Au2P2Si+2 — CID 164790381

IUPAC2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C16H13Si.C15H9.2Au/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;1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h1-20H,21-22H2;5-11H,2-3H3;3-9H,10H2;;/q;2*-1;2*+1/p+2
InChIKeyGPBLETDRPZCWSN-UHFFFAOYSA-P
MW1216.98 g/mol
LogP10.33
Rot. Bonds7

About 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))

2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+)) (PubChem CID 164790381) has the molecular formula C57H48Au2P2Si+2 and a molecular weight of 1216.98 g/mol. Its IUPAC name is 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+)).

Molecular Properties

Compound Name2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))
PubChem CID164790381
Molecular FormulaC57H48Au2P2Si+2
Molecular Weight1216.98 g/mol
Exact Mass1216.23
IUPAC Name2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C16H13Si.C15H9.2Au/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;1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h1-20H,21-22H2;5-11H,2-3H3;3-9H,10H2;;/q;2*-1;2*+1/p+2
InChIKeyGPBLETDRPZCWSN-UHFFFAOYSA-P
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001216.98
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))?
The IUPAC name of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+)) (CID 164790381) is 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+)).
What is the SMILES notation for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))?
The canonical SMILES for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))?
The InChIKey is GPBLETDRPZCWSN-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H24P2.C16H13Si.C15H9.2Au/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;1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h1-20H,21-22H2;5-11H,2-3H3;3-9H,10H2;;/q;2*-1;2*+1/p+2.
What are the key properties of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))?
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+)) has a molecular weight of 1216.98 g/mol, XLogP of 10.33, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+)) is sourced from PubChem (CID 164790381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).