2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))

C56H45Au2NP2+2 — CID 164789760

About 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))

2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+)) (PubChem CID 164789760) has the molecular formula C56H45Au2NP2+2 and a molecular weight of 1187.86 g/mol. Its IUPAC name is 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+)).

Molecular Properties

• Compound Name: 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))
• PubChem CID: 164789760
• Molecular Formula: C56H45Au2NP2+2
• Molecular Weight: 1187.86 g/mol
• Exact Mass: 1187.23
• IUPAC Name: 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))
• SMILES: [Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)c1ccccc1n2C.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C26H24P2.C15H10N.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;1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2;1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h1-20H,21-22H2;4-10H,2H3;3-9H,10H2;;/q;2*-1;2*+1/p+2
• InChIKey: ZNIKQOYGCGXMAP-UHFFFAOYSA-P
• XLogP: 11.18
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1187.86
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))?

The IUPAC name of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+)) (CID 164789760) is 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+)).

What is the SMILES notation for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))?

The canonical SMILES for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)c1ccccc1n2C.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))?

The InChIKey is ZNIKQOYGCGXMAP-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H24P2.C15H10N.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;1-3-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15)2;1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h1-20H,21-22H2;4-10H,2H3;3-9H,10H2;;/q;2*-1;2*+1/p+2.

What are the key properties of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))?

2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+)) has a molecular weight of 1187.86 g/mol, XLogP of 11.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+)) is sourced from PubChem (CID 164789760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).