dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))

C56H68Au2P2+2 — CID 164790311

IUPACdicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
SMILESC1CCC([PH+](CC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H48P2.2C15H9.2Au/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h23-26H,1-22H2;2*3-9H,10H2;;/q;2*-1;2*+1/p+2
InChIKeyDQDQNZVFRASUBR-UHFFFAOYSA-P
MW1197.04 g/mol
LogP15.13
Rot. Bonds7

About dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))

dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) (PubChem CID 164790311) has the molecular formula C56H68Au2P2+2 and a molecular weight of 1197.04 g/mol. Its IUPAC name is dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)).

Molecular Properties

Compound Namedicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
PubChem CID164790311
Molecular FormulaC56H68Au2P2+2
Molecular Weight1197.04 g/mol
Exact Mass1196.41
IUPAC Namedicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
SMILESC1CCC([PH+](CC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C26H48P2.2C15H9.2Au/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h23-26H,1-22H2;2*3-9H,10H2;;/q;2*-1;2*+1/p+2
InChIKeyDQDQNZVFRASUBR-UHFFFAOYSA-P
XLogP15.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.04
LogP ≤ 515.13
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(4-dicyclohexylphosphaniumylbutyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
CID 164790075
2-dimethylphosphaniumylethyl(dimethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
CID 164790511
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
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790381
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
bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+))
CID 164985629
bis(3-ethynyl-9H-fluorene);bis(gold(1+));5-(pyrimidin-5-ylmethyl)pyrimidine
CID 164790015
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-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))
CID 164789760
dimethylphosphaniumylmethyl(dimethyl)phosphanium;diphenylphosphaniumylmethyl-methyl-phenylphosphanium;2-ethynyl-9H-fluorene;tris(3-ethynyl-9H-fluorene);tetrakis(gold(1+))
CID 165052589
dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(9-ethynylphenanthrene);bis(gold(1+))
CID 162499882

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
The IUPAC name of dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) (CID 164790311) is dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)).
What is the SMILES notation for dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
The canonical SMILES for dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) is C1CCC([PH+](CC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
The InChIKey is DQDQNZVFRASUBR-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H48P2.2C15H9.2Au/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;;/h23-26H,1-22H2;2*3-9H,10H2;;/q;2*-1;2*+1/p+2.
What are the key properties of dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))?
dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) has a molecular weight of 1197.04 g/mol, XLogP of 15.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(2-dicyclohexylphosphaniumylethyl)phosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+)) is sourced from PubChem (CID 164790311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).