2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+))

C57H48Au2P2Si+2 — CID 164789590

About 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+))

2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+)) (PubChem CID 164789590) has the molecular formula C57H48Au2P2Si+2 and a molecular weight of 1216.98 g/mol. Its IUPAC name is 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+)).

Molecular Properties

• Compound Name: 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+))
• PubChem CID: 164789590
• Molecular Formula: C57H48Au2P2Si+2
• Molecular Weight: 1216.98 g/mol
• Exact Mass: 1216.23
• IUPAC Name: 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+))
• SMILES: [Au+].[Au+].[C-]#Cc1cccc2c1-c1ccccc1C2.[C-]#Cc1cccc2c1-c1ccccc1[Si]2(C)C.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
• InChI: 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;1-4-12-8-7-11-15-16(12)13-9-5-6-10-14(13)17(15,2)3;1-2-11-7-5-8-13-10-12-6-3-4-9-14(12)15(11)13;;/h1-20H,21-22H2;5-11H,2-3H3;3-9H,10H2;;/q;2*-1;2*+1/p+2
• InChIKey: HAGNXAYSQOICAQ-UHFFFAOYSA-P
• XLogP: 10.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1216.98
LogP ≤ 5	10.33
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+))?

The IUPAC name of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+)) (CID 164789590) is 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+)).

What is the SMILES notation for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+))?

The canonical SMILES for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1cccc2c1-c1ccccc1C2.[C-]#Cc1cccc2c1-c1ccccc1[Si]2(C)C.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+))?

The InChIKey is HAGNXAYSQOICAQ-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;1-4-12-8-7-11-15-16(12)13-9-5-6-10-14(13)17(15,2)3;1-2-11-7-5-8-13-10-12-6-3-4-9-14(12)15(11)13;;/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;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+))?

2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-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;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+)) is sourced from PubChem (CID 164789590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).