4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))

C60H48Au2P2+2 — CID 162499607

IUPAC4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.2C16H9.2Au/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;;/h1-12,15-22H,13-14,23-24H2;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyCOBXXQSXDAYZRM-UHFFFAOYSA-P
MW1224.93 g/mol
LogP13.35
Rot. Bonds9

About 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))

4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)) (PubChem CID 162499607) has the molecular formula C60H48Au2P2+2 and a molecular weight of 1224.93 g/mol. Its IUPAC name is 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)).

Molecular Properties

Compound Name4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
PubChem CID162499607
Molecular FormulaC60H48Au2P2+2
Molecular Weight1224.93 g/mol
Exact Mass1224.26
IUPAC Name4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.2C16H9.2Au/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;;/h1-12,15-22H,13-14,23-24H2;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyCOBXXQSXDAYZRM-UHFFFAOYSA-P
XLogP13.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001224.93
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499688
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499405
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))
CID 162499547
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene)
CID 162499722
disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium
CID 162499643
bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium
CID 162499825
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylphenanthrene);gold(1+)
CID 162499383
disilver;2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(9-ethynylanthracene)
CID 162499606
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynylphenanthrene);gold(1+)
CID 162499526
disilver;2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene)
CID 162499885
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyltetracene)
CID 162499534
4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(3-ethynyldibenzothiophene);bis(gold(1+))
CID 164789861

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))?
The IUPAC name of 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)) (CID 162499607) is 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)).
What is the SMILES notation for 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))?
The canonical SMILES for 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))?
The InChIKey is COBXXQSXDAYZRM-UHFFFAOYSA-P. The full InChI is InChI=1S/C28H28P2.2C16H9.2Au/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;;/h1-12,15-22H,13-14,23-24H2;2*3-11H;;/q;2*-1;2*+1/p+2.
What are the key properties of 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))?
4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)) has a molecular weight of 1224.93 g/mol, XLogP of 13.35, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)) is sourced from PubChem (CID 162499607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).