(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))

C66H46Au2OP2+2 — CID 164790051

About (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))

(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) (PubChem CID 164790051) has the molecular formula C66H46Au2OP2+2 and a molecular weight of 1310.97 g/mol. Its IUPAC name is (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)).

Molecular Properties

• Compound Name: (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
• PubChem CID: 164790051
• Molecular Formula: C66H46Au2OP2+2
• Molecular Weight: 1310.97 g/mol
• Exact Mass: 1310.23
• IUPAC Name: (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
• SMILES: [Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.c1ccc([PH+](c2ccccc2)c2cc3oc4ccccc4c3cc2[PH+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C36H26OP2.2C15H9.2Au/c1-5-15-27(16-6-1)38(28-17-7-2-8-18-28)35-25-32-31-23-13-14-24-33(31)37-34(32)26-36(35)39(29-19-9-3-10-20-29)30-21-11-4-12-22-30;2*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h1-26H;2*3-9H,10H2;;/q;2*-1;2*+1/p+2
• InChIKey: DLQRTAWZQDRZPV-UHFFFAOYSA-P
• XLogP: 12.95
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1310.97
LogP ≤ 5	12.95
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-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?

The IUPAC name of (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) (CID 164790051) is (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)).

What is the SMILES notation for (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?

The canonical SMILES for (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.c1ccc([PH+](c2ccccc2)c2cc3oc4ccccc4c3cc2[PH+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?

The InChIKey is DLQRTAWZQDRZPV-UHFFFAOYSA-P. The full InChI is InChI=1S/C36H26OP2.2C15H9.2Au/c1-5-15-27(16-6-1)38(28-17-7-2-8-18-28)35-25-32-31-23-13-14-24-33(31)37-34(32)26-36(35)39(29-19-9-3-10-20-29)30-21-11-4-12-22-30;2*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h1-26H;2*3-9H,10H2;;/q;2*-1;2*+1/p+2.

What are the key properties of (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?

(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) has a molecular weight of 1310.97 g/mol, XLogP of 12.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) is sourced from PubChem (CID 164790051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).