(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))

C66H46Au2P2+2 — CID 162499487

About (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))

(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+)) (PubChem CID 162499487) has the molecular formula C66H46Au2P2+2 and a molecular weight of 1294.98 g/mol. Its IUPAC name is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+)).

Molecular Properties

• Compound Name: (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))
• PubChem CID: 162499487
• Molecular Formula: C66H46Au2P2+2
• Molecular Weight: 1294.98 g/mol
• Exact Mass: 1294.24
• IUPAC Name: (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))
• SMILES: [Au+].[Au+].[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C30H24P2.C20H11.C16H9.2Au/c1-5-15-25(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;1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18;1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;;/h1-24H;3-13H;3-11H;;/q;2*-1;2*+1/p+2
• InChIKey: MDCBZZXKUCLLHT-UHFFFAOYSA-P
• XLogP: 13.68
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1294.98
LogP ≤ 5	13.68
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))?

The IUPAC name of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+)) (CID 162499487) is (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+)).

What is the SMILES notation for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))?

The canonical SMILES for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12.c1ccc([PH+](c2ccccc2)c2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))?

The InChIKey is MDCBZZXKUCLLHT-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H24P2.C20H11.C16H9.2Au/c1-5-15-25(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;1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18;1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;;/h1-24H;3-13H;3-11H;;/q;2*-1;2*+1/p+2.

What are the key properties of (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))?

(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+)) has a molecular weight of 1294.98 g/mol, XLogP of 13.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+)) is sourced from PubChem (CID 162499487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).