bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium

C47H38Au2P2+2 — CID 162499825

IUPACbis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium
SMILESC[PH+](C[PH+](C)c1ccccc1)c1ccccc1.[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/2C16H9.C15H18P2.2Au/c2*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;1-16(14-9-5-3-6-10-14)13-17(2)15-11-7-4-8-12-15;;/h2*3-11H;3-12H,13H2,1-2H3;;/q2*-1;;2*+1/p+2
InChIKeyYBGYTZOAQSQIIK-UHFFFAOYSA-P
MW1058.70 g/mol
LogP11.14
Rot. Bonds4

About bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium

bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium (PubChem CID 162499825) has the molecular formula C47H38Au2P2+2 and a molecular weight of 1058.70 g/mol. Its IUPAC name is bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium.

Molecular Properties

Compound Namebis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium
PubChem CID162499825
Molecular FormulaC47H38Au2P2+2
Molecular Weight1058.70 g/mol
Exact Mass1058.18
IUPAC Namebis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium
SMILESC[PH+](C[PH+](C)c1ccccc1)c1ccccc1.[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/2C16H9.C15H18P2.2Au/c2*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;1-16(14-9-5-3-6-10-14)13-17(2)15-11-7-4-8-12-15;;/h2*3-11H;3-12H,13H2,1-2H3;;/q2*-1;;2*+1/p+2
InChIKeyYBGYTZOAQSQIIK-UHFFFAOYSA-P
XLogP11.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001058.70
LogP ≤ 511.14
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

disilver;bis(9-ethynylanthracene);methyl-[2-[methyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium
CID 162499643
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499405
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499688
4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499607
disilver;2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(9-ethynylanthracene)
CID 162499606
disilver;2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene)
CID 162499885
(2-dimethylphosphaniumylphenyl)-dimethylphosphanium;(2-dimethylphosphaniumylphenyl)-diphenylphosphanium;hexakis(9-ethynylanthracene);hexakis(gold(1+));methyl-[2-[methyl(phenyl)phosphaniumyl]phenyl]-phenylphosphanium
CID 163755412
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene);bis(gold(1+))
CID 162499547
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(6-ethynylpentacene);bis(gold(1+))
CID 162499721
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(6-ethynylpentacene)
CID 162499722
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylphenanthrene);gold(1+)
CID 162499383
hexasilver;tris((2-diphenylphosphaniumyl-4,5-dimethylphenyl)-diphenylphosphanium);bis(1-ethynylanthracene);bis(9-ethynylanthracene);bis(4-ethynylphenanthrene)
CID 163963600

Frequently Asked Questions

What is the IUPAC name of bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium?
The IUPAC name of bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium (CID 162499825) is bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium.
What is the SMILES notation for bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium?
The canonical SMILES for bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium is C[PH+](C[PH+](C)c1ccccc1)c1ccccc1.[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium?
The InChIKey is YBGYTZOAQSQIIK-UHFFFAOYSA-P. The full InChI is InChI=1S/2C16H9.C15H18P2.2Au/c2*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;1-16(14-9-5-3-6-10-14)13-17(2)15-11-7-4-8-12-15;;/h2*3-11H;3-12H,13H2,1-2H3;;/q2*-1;;2*+1/p+2.
What are the key properties of bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium?
bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium has a molecular weight of 1058.70 g/mol, XLogP of 11.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9-ethynylanthracene);bis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium is sourced from PubChem (CID 162499825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).