bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))

C84H64Au4O2P4+4 — CID 164790478

About bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))

bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+)) (PubChem CID 164790478) has the molecular formula C84H64Au4O2P4+4 and a molecular weight of 2017.20 g/mol. Its IUPAC name is bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+)).

Molecular Properties

• Compound Name: bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
• PubChem CID: 164790478
• Molecular Formula: C84H64Au4O2P4+4
• Molecular Weight: 2017.20 g/mol
• Exact Mass: 2016.25
• IUPAC Name: bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
• SMILES: [Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2oc3ccc(C#[C-])cc3c2c1.[C-]#Cc1ccc2oc3ccc(C#[C-])cc3c2c1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C26H24P2.2C16H6O.4Au/c2*1-5-13-23(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;2*1-3-11-5-7-15-13(9-11)14-10-12(4-2)6-8-16(14)17-15;;;;/h2*1-20H,21-22H2;2*5-10H;;;;/q;;2*-2;4*+1/p+4
• InChIKey: HFVJOQUVMNAJLY-UHFFFAOYSA-R
• XLogP: 16.35
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2017.20
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))?

The IUPAC name of bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+)) (CID 164790478) is bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+)).

What is the SMILES notation for bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))?

The canonical SMILES for bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+)) is [Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2oc3ccc(C#[C-])cc3c2c1.[C-]#Cc1ccc2oc3ccc(C#[C-])cc3c2c1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))?

The InChIKey is HFVJOQUVMNAJLY-UHFFFAOYSA-R. The full InChI is InChI=1S/2C26H24P2.2C16H6O.4Au/c2*1-5-13-23(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;2*1-3-11-5-7-15-13(9-11)14-10-12(4-2)6-8-16(14)17-15;;;;/h2*1-20H,21-22H2;2*5-10H;;;;/q;;2*-2;4*+1/p+4.

What are the key properties of bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))?

bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+)) has a molecular weight of 2017.20 g/mol, XLogP of 16.35, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+)) is sourced from PubChem (CID 164790478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).