diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+))

C77H58Au2P2Si2+2 — CID 164790242

IUPACdiphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1cccc2c1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.[C-]#Cc1cccc2c1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H17Si.C25H22P2.2Au/c2*1-2-20-12-11-18-24-23-17-9-10-19-25(23)27(26(20)24,21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-5-13-22(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;;/h2*3-19H;1-20H,21H2;;/q2*-1;;2*+1/p+2
InChIKeyAMBMCCWDGLBVPE-UHFFFAOYSA-P
MW1495.36 g/mol
LogP10.63
Rot. Bonds10

About diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+))

diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+)) (PubChem CID 164790242) has the molecular formula C77H58Au2P2Si2+2 and a molecular weight of 1495.36 g/mol. Its IUPAC name is diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+)).

Molecular Properties

Compound Namediphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+))
PubChem CID164790242
Molecular FormulaC77H58Au2P2Si2+2
Molecular Weight1495.36 g/mol
Exact Mass1494.29
IUPAC Namediphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1cccc2c1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.[C-]#Cc1cccc2c1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H17Si.C25H22P2.2Au/c2*1-2-20-12-11-18-24-23-17-9-10-19-25(23)27(26(20)24,21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-5-13-22(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;;/h2*3-19H;1-20H,21H2;;/q2*-1;;2*+1/p+2
InChIKeyAMBMCCWDGLBVPE-UHFFFAOYSA-P
XLogP10.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001495.36
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+)) with MolForge

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Related Compounds

bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164789980
silver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-9H-fluorene);gold(1+)
CID 164790062
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-9H-fluorene)
CID 164790046
4-tert-butyl-5,5-diphenylbenzo[b][1]benzosilole
CID 166012590
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;4-ethynyl-9H-fluorene;bis(gold(1+))
CID 164789590
CID 164790450
CID 164790450
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)
CID 162499763
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene
CID 162499694
disilver;bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(4-ethynyl-9,9-dimethylfluorene);bis(gold(1+))
CID 164978762
bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)
CID 6390174
1-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488393
2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787192

Frequently Asked Questions

What is the IUPAC name of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+))?
The IUPAC name of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+)) (CID 164790242) is diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+)).
What is the SMILES notation for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+))?
The canonical SMILES for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1cccc2c1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.[C-]#Cc1cccc2c1[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+))?
The InChIKey is AMBMCCWDGLBVPE-UHFFFAOYSA-P. The full InChI is InChI=1S/2C26H17Si.C25H22P2.2Au/c2*1-2-20-12-11-18-24-23-17-9-10-19-25(23)27(26(20)24,21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-5-13-22(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;;/h2*3-19H;1-20H,21H2;;/q2*-1;;2*+1/p+2.
What are the key properties of diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+))?
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+)) has a molecular weight of 1495.36 g/mol, XLogP of 10.63, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+)) is sourced from PubChem (CID 164790242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).