silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+)

C59H54AgAuP2+2 — CID 164789848

About silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+)

silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+) (PubChem CID 164789848) has the molecular formula C59H54AgAuP2+2 and a molecular weight of 1129.86 g/mol. Its IUPAC name is silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+).

Molecular Properties

• Compound Name: silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+)
• PubChem CID: 164789848
• Molecular Formula: C59H54AgAuP2+2
• Molecular Weight: 1129.86 g/mol
• Exact Mass: 1128.24
• IUPAC Name: silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+)
• SMILES: C1=CCC([PH+](C[PH+](C2=CCCC=C2)c2ccccc2)c2ccccc2)C=C1.[Ag+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1C2(C)C
• InChI: InChI=1S/C25H26P2.2C17H13.Ag.Au/c1-5-13-22(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;2*1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;;/h1-3,5-11,13-15,17-20,23H,4,12,16,21H2;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2
• InChIKey: XRAXACQSIJYWQV-UHFFFAOYSA-P
• XLogP: 14.00
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1129.86
LogP ≤ 5	14.00
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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+)?

The IUPAC name of silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+) (CID 164789848) is silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+).

What is the SMILES notation for silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+)?

The canonical SMILES for silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+) is C1=CCC([PH+](C[PH+](C2=CCCC=C2)c2ccccc2)c2ccccc2)C=C1.[Ag+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1C2(C)C.

What is the InChIKey of silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+)?

The InChIKey is XRAXACQSIJYWQV-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H26P2.2C17H13.Ag.Au/c1-5-13-22(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;2*1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;;/h1-3,5-11,13-15,17-20,23H,4,12,16,21H2;2*5-11H,2-3H3;;/q;2*-1;2*+1/p+2.

What are the key properties of silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+)?

silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+) has a molecular weight of 1129.86 g/mol, XLogP of 14.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+) is sourced from PubChem (CID 164789848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).