6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))

C64H54Au2N2P2+2 — CID 25131993

About 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))

6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+)) (PubChem CID 25131993) has the molecular formula C64H54Au2N2P2+2 and a molecular weight of 1307.03 g/mol. Its IUPAC name is 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+)).

Molecular Properties

• Compound Name: 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))
• PubChem CID: 25131993
• Molecular Formula: C64H54Au2N2P2+2
• Molecular Weight: 1307.03 g/mol
• Exact Mass: 1306.31
• IUPAC Name: 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))
• SMILES: [Au+3].[Au+3].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.c1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C30H32P2.2C17H11N.2Au/c1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30;2*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;;/h3-14,17-24H,1-2,15-16,25-26H2;2*1-8,10,12-13H;;/q;2*-2;2*+3
• InChIKey: MZCOEIRQFHJRBJ-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1307.03
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))?

The IUPAC name of 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+)) (CID 25131993) is 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+)).

What is the SMILES notation for 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))?

The canonical SMILES for 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+)) is [Au+3].[Au+3].[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.c1ccc(P(CCCCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))?

The InChIKey is MZCOEIRQFHJRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32P2.2C17H11N.2Au/c1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30;2*1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15;;/h3-14,17-24H,1-2,15-16,25-26H2;2*1-8,10,12-13H;;/q;2*-2;2*+3.

What are the key properties of 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+))?

6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+)) has a molecular weight of 1307.03 g/mol, XLogP of 14.84, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-diphenylphosphanylhexyl(diphenyl)phosphane;bis(2,6-di(phenyl)pyridine);bis(gold(3+)) is sourced from PubChem (CID 25131993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).