bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))

C94H70Au4N2P4+4 — CID 164790459

About bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))

bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) (PubChem CID 164790459) has the molecular formula C94H70Au4N2P4+4 and a molecular weight of 2139.37 g/mol. Its IUPAC name is bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)).

Molecular Properties

• Compound Name: bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
• PubChem CID: 164790459
• Molecular Formula: C94H70Au4N2P4+4
• Molecular Weight: 2139.37 g/mol
• Exact Mass: 2138.31
• IUPAC Name: bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
• SMILES: [Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c3ccc(C#[C-])cc3n(C)c2c1.[C-]#Cc1ccc2c3ccc(C#[C-])cc3n(C)c2c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C30H24P2.2C17H9N.4Au/c2*1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-4-12-6-8-14-15-9-7-13(5-2)11-17(15)18(3)16(14)10-12;;;;/h2*1-24H;2*6-11H,3H3;;;;/q;;2*-2;4*+1/p+4
• InChIKey: JQZBMDPMFVRSAD-UHFFFAOYSA-R
• XLogP: 15.74
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2139.37
LogP ≤ 5	15.74
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(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?

The IUPAC name of bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) (CID 164790459) is bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)).

What is the SMILES notation for bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?

The canonical SMILES for bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) is [Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c3ccc(C#[C-])cc3n(C)c2c1.[C-]#Cc1ccc2c3ccc(C#[C-])cc3n(C)c2c1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?

The InChIKey is JQZBMDPMFVRSAD-UHFFFAOYSA-R. The full InChI is InChI=1S/2C30H24P2.2C17H9N.4Au/c2*1-5-15-25(16-6-1)31(26-17-7-2-8-18-26)29-23-13-14-24-30(29)32(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-4-12-6-8-14-15-9-7-13(5-2)11-17(15)18(3)16(14)10-12;;;;/h2*1-24H;2*6-11H,3H3;;;;/q;;2*-2;4*+1/p+4.

What are the key properties of bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))?

bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) has a molecular weight of 2139.37 g/mol, XLogP of 15.74, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,7-bis(ethynyl)-9-methylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+)) is sourced from PubChem (CID 164790459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).