bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium

C97H78Au6F8O2P6+6 — CID 165016908

IUPACbis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium
SMILESCO[PH+](C)C[PH+](C)OC.F[PH+](F)C[PH+](F)F.F[PH+](F)C[PH+](F)F.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2.[C-]#Cc1ccc2c(c1)-c1ccccc1C2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/6C15H9.C5H14O2P2.2CH2F4P2.6Au/c4*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;2*1-2-11-7-8-13-10-12-5-3-4-6-14(12)15(13)9-11;1-6-8(3)5-9(4)7-2;2*2-6(3)1-7(4)5;;;;;;/h6*3-9H,10H2;5H2,1-4H3;2*1H2;;;;;;/q6*-1;;;;6*+1/p+6
InChIKeyQXBALGARSHWTCY-UHFFFAOYSA-T
MW2795.32 g/mol
LogP26.73
Rot. Bonds8

About bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium

bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium (PubChem CID 165016908) has the molecular formula C97H78Au6F8O2P6+6 and a molecular weight of 2795.32 g/mol. Its IUPAC name is bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium.

Molecular Properties

Compound Namebis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium
PubChem CID165016908
Molecular FormulaC97H78Au6F8O2P6+6
Molecular Weight2795.32 g/mol
Exact Mass2794.23
IUPAC Namebis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium
SMILESCO[PH+](C)C[PH+](C)OC.F[PH+](F)C[PH+](F)F.F[PH+](F)C[PH+](F)F.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2.[C-]#Cc1ccc2c(c1)-c1ccccc1C2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/6C15H9.C5H14O2P2.2CH2F4P2.6Au/c4*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;2*1-2-11-7-8-13-10-12-5-3-4-6-14(12)15(13)9-11;1-6-8(3)5-9(4)7-2;2*2-6(3)1-7(4)5;;;;;;/h6*3-9H,10H2;5H2,1-4H3;2*1H2;;;;;;/q6*-1;;;;6*+1/p+6
InChIKeyQXBALGARSHWTCY-UHFFFAOYSA-T
XLogP26.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002795.32
LogP ≤ 526.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium?
The IUPAC name of 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) is bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium.
What is the SMILES notation for bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium?
The canonical SMILES for bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium is CO[PH+](C)C[PH+](C)OC.F[PH+](F)C[PH+](F)F.F[PH+](F)C[PH+](F)F.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2.[C-]#Cc1ccc2c(c1)-c1ccccc1C2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium?
The InChIKey is QXBALGARSHWTCY-UHFFFAOYSA-T. The full InChI is InChI=1S/6C15H9.C5H14O2P2.2CH2F4P2.6Au/c4*1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;2*1-2-11-7-8-13-10-12-5-3-4-6-14(12)15(13)9-11;1-6-8(3)5-9(4)7-2;2*2-6(3)1-7(4)5;;;;;;/h6*3-9H,10H2;5H2,1-4H3;2*1H2;;;;;;/q6*-1;;;;6*+1/p+6.
What are the key properties of bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium?
bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium has a molecular weight of 2795.32 g/mol, XLogP of 26.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(difluorophosphaniumylmethyl(difluoro)phosphanium);tetrakis(2-ethynyl-9H-fluorene);bis(3-ethynyl-9H-fluorene);hexakis(gold(1+));methoxy-[[methoxy(methyl)phosphaniumyl]methyl]-methylphosphanium is sourced from PubChem (CID 165016908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).