2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))

C59H54Au2P2Si2+2 — CID 164789551

About 2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))

2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)) (PubChem CID 164789551) has the molecular formula C59H54Au2P2Si2+2 and a molecular weight of 1275.13 g/mol. Its IUPAC name is 2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)).

Molecular Properties

• Compound Name: 2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))
• PubChem CID: 164789551
• Molecular Formula: C59H54Au2P2Si2+2
• Molecular Weight: 1275.13 g/mol
• Exact Mass: 1274.26
• IUPAC Name: 2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))
• SMILES: CC(C)([PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2
• InChI: InChI=1S/C27H26P2.2C16H13Si.2Au/c1-27(2,28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26;2*1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;/h3-22H,1-2H3;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2
• InChIKey: WDGRVOMFYKPLOG-UHFFFAOYSA-P
• XLogP: 10.30
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1275.13
LogP ≤ 5	10.30
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-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))?

The IUPAC name of 2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)) (CID 164789551) is 2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)).

What is the SMILES notation for 2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))?

The canonical SMILES for 2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)) is CC(C)([PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.

What is the InChIKey of 2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))?

The InChIKey is WDGRVOMFYKPLOG-UHFFFAOYSA-P. The full InChI is InChI=1S/C27H26P2.2C16H13Si.2Au/c1-27(2,28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26;2*1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;/h3-22H,1-2H3;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2.

What are the key properties of 2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))?

2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)) has a molecular weight of 1275.13 g/mol, XLogP of 10.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+)) is sourced from PubChem (CID 164789551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).