diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))

C65H46Au2P2+2 — CID 162499734

IUPACdiphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.2C20H11.2Au/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*1-2-14-11-12-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20(19)13-14;;/h1-20H,21H2;2*3-13H;;/q;2*-1;2*+1/p+2
InChIKeyHRHCCBBCIKQTGZ-UHFFFAOYSA-P
MW1282.96 g/mol
LogP14.84
Rot. Bonds6

About diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))

diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) (PubChem CID 162499734) has the molecular formula C65H46Au2P2+2 and a molecular weight of 1282.96 g/mol. Its IUPAC name is diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)).

Molecular Properties

Compound Namediphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
PubChem CID162499734
Molecular FormulaC65H46Au2P2+2
Molecular Weight1282.96 g/mol
Exact Mass1282.24
IUPAC Namediphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.2C20H11.2Au/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*1-2-14-11-12-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20(19)13-14;;/h1-20H,21H2;2*3-13H;;/q;2*-1;2*+1/p+2
InChIKeyHRHCCBBCIKQTGZ-UHFFFAOYSA-P
XLogP14.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001282.96
LogP ≤ 514.84
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_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499829
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))
CID 162499562
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene)
CID 162499676
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynylphenanthrene);gold(1+)
CID 162499526
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499405
bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790478
bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164789980
diphenylphosphaniumylmethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(gold(1+))
CID 164789967
3,7-bis(ethynyl)dibenzofuran;2,7-bis(ethynyl)-9H-fluorene;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;diphenylphosphaniumylmethyl(diphenyl)phosphanium;tetrakis(gold(1+))
CID 164790052
4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;bis(3-ethynyldibenzothiophene);bis(gold(1+))
CID 164789861
bis(dimethylphosphaniumylmethyl(dimethyl)phosphanium);diphenylphosphaniumylmethyl-methyl-phenylphosphanium;tetrakis(2-ethynyl-9-methylcarbazole);tetrakis(3-ethynyl-9-methylcarbazole);octakis(gold(1+));methyl-[[methyl(phenyl)phosphaniumyl]methyl]-phenylphosphanium
CID 164955509
bis(2,8-bis(ethynyl)dibenzothiophene);bis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164789673

Frequently Asked Questions

What is the IUPAC name of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
The IUPAC name of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) (CID 162499734) is diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)).
What is the SMILES notation for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
The canonical SMILES for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.[C-]#Cc1ccc2c3ccccc3c3ccccc3c2c1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
The InChIKey is HRHCCBBCIKQTGZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H22P2.2C20H11.2Au/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*1-2-14-11-12-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20(19)13-14;;/h1-20H,21H2;2*3-13H;;/q;2*-1;2*+1/p+2.
What are the key properties of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))?
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+)) has a molecular weight of 1282.96 g/mol, XLogP of 14.84, 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(2-ethynyltriphenylene);bis(gold(1+)) is sourced from PubChem (CID 162499734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).