bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+))

C106H80Au4P4Si2+4 — CID 164789980

About bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+))

bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+)) (PubChem CID 164789980) has the molecular formula C106H80Au4P4Si2+4 and a molecular weight of 2321.74 g/mol. Its IUPAC name is bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+)).

Molecular Properties

• Compound Name: bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+))
• PubChem CID: 164789980
• Molecular Formula: C106H80Au4P4Si2+4
• Molecular Weight: 2321.74 g/mol
• Exact Mass: 2320.34
• IUPAC Name: bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+))
• SMILES: [Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C#[C-])ccc1-2.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C28H16Si.2C25H22P2.4Au/c2*1-3-21-15-17-25-26-18-16-22(4-2)20-28(26)29(27(25)19-21,23-11-7-5-8-12-23)24-13-9-6-10-14-24;2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;;/h2*5-20H;2*1-20H,21H2;;;;/q2*-2;;;4*+1/p+4
• InChIKey: BHCZRPHXNNVXEX-UHFFFAOYSA-R
• XLogP: 15.18
• TPSA: 0.00 Ų
• Rotatable Bonds: 16
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2321.74
LogP ≤ 5	15.18
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 bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+))?

The IUPAC name of bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+)) (CID 164789980) is bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+)).

What is the SMILES notation for bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+))?

The canonical SMILES for bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+)) is [Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C#[C-])ccc1-2.[C-]#Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C#[C-])ccc1-2.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+))?

The InChIKey is BHCZRPHXNNVXEX-UHFFFAOYSA-R. The full InChI is InChI=1S/2C28H16Si.2C25H22P2.4Au/c2*1-3-21-15-17-25-26-18-16-22(4-2)20-28(26)29(27(25)19-21,23-11-7-5-8-12-23)24-13-9-6-10-14-24;2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;;/h2*5-20H;2*1-20H,21H2;;;;/q2*-2;;;4*+1/p+4.

What are the key properties of bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+))?

bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+)) has a molecular weight of 2321.74 g/mol, XLogP of 15.18, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+)) is sourced from PubChem (CID 164789980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).