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

C57H42Au2P2+2 — CID 162499405

IUPACdiphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.2C16H9.2Au/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*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;;/h1-20H,21H2;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyGIWNZQOBLKKAOS-UHFFFAOYSA-P
MW1182.84 g/mol
LogP12.53
Rot. Bonds6

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

diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)) (PubChem CID 162499405) has the molecular formula C57H42Au2P2+2 and a molecular weight of 1182.84 g/mol. Its IUPAC name is diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)).

Molecular Properties

Compound Namediphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
PubChem CID162499405
Molecular FormulaC57H42Au2P2+2
Molecular Weight1182.84 g/mol
Exact Mass1182.21
IUPAC Namediphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.2C16H9.2Au/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*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;;/h1-20H,21H2;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyGIWNZQOBLKKAOS-UHFFFAOYSA-P
XLogP12.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001182.84
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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
4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499607
bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium
CID 162499825
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))
CID 162499547
disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium
CID 162499643
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene)
CID 162499722
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene
CID 162499694
disilver;2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene)
CID 162499885
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499734
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))
CID 162499562
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylphenanthrene);gold(1+)
CID 162499383
disilver;2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(9-ethynylanthracene)
CID 162499606

Frequently Asked Questions

What is the IUPAC name of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))?
The IUPAC name of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)) (CID 162499405) is diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)).
What is the SMILES notation for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))?
The canonical SMILES for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))?
The InChIKey is GIWNZQOBLKKAOS-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H22P2.2C16H9.2Au/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*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;;/h1-20H,21H2;2*3-11H;;/q;2*-1;2*+1/p+2.
What are the key properties of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))?
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)) has a molecular weight of 1182.84 g/mol, XLogP of 12.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+)) is sourced from PubChem (CID 162499405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).