2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))

C36H36Au2P2+2 — CID 164790511

IUPAC2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
SMILESC[PH+](C)CC[PH+](C)C.[Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C15H9.C6H16P2.2Au/c2*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;1-7(2)5-6-8(3)4;;/h2*3-9H,10H2;5-6H2,1-4H3;;/q2*-1;;2*+1/p+2
InChIKeyYCYFOHOTHNBXQJ-UHFFFAOYSA-P
MW924.57 g/mol
LogP8.32
Rot. Bonds3

About 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))

2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) (PubChem CID 164790511) has the molecular formula C36H36Au2P2+2 and a molecular weight of 924.57 g/mol. Its IUPAC name is 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)).

Molecular Properties

Compound Name2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
PubChem CID164790511
Molecular FormulaC36H36Au2P2+2
Molecular Weight924.57 g/mol
Exact Mass924.16
IUPAC Name2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
SMILESC[PH+](C)CC[PH+](C)C.[Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C15H9.C6H16P2.2Au/c2*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;1-7(2)5-6-8(3)4;;/h2*3-9H,10H2;5-6H2,1-4H3;;/q2*-1;;2*+1/p+2
InChIKeyYCYFOHOTHNBXQJ-UHFFFAOYSA-P
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.57
LogP ≤ 58.32
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
CID 164790311
bis(2-difluorophosphaniumylethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[2-[methoxy(methyl)phosphaniumyl]ethyl]-methylphosphanium
CID 165030548
dimethylphosphaniumylmethyl(dimethyl)phosphanium;diphenylphosphaniumylmethyl-methyl-phenylphosphanium;2-ethynyl-9H-fluorene;tris(3-ethynyl-9H-fluorene);tetrakis(gold(1+))
CID 165052589
diphenylphosphaniumylmethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(gold(1+))
CID 164789967
bis(2,7-bis(ethynyl)-9H-fluorene);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164789840
dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
CID 164790075
bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium
CID 165016908
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790381
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))
CID 164789760
bis(3-ethynyl-9H-fluorene);bis(gold(1+));5-(pyrimidin-5-ylmethyl)pyrimidine
CID 164790015
2,6-bis(ethynyl)-9,9-dimethylfluorene;2,6-bis(ethynyl)-9H-fluorene;bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164789769
(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
CID 164790051

Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
The IUPAC name of 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) (CID 164790511) is 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)).
What is the SMILES notation for 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
The canonical SMILES for 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) is C[PH+](C)CC[PH+](C)C.[Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
The InChIKey is YCYFOHOTHNBXQJ-UHFFFAOYSA-P. The full InChI is InChI=1S/2C15H9.C6H16P2.2Au/c2*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;1-7(2)5-6-8(3)4;;/h2*3-9H,10H2;5-6H2,1-4H3;;/q2*-1;;2*+1/p+2.
What are the key properties of 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) has a molecular weight of 924.57 g/mol, XLogP of 8.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) is sourced from PubChem (CID 164790511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).