2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+))

C56H46Au2N2P2+2 — CID 164789588

IUPAC2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1cccc2c3ccccc3n(C)c12.[C-]#Cc1cccc2c3ccccc3n(C)c12.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C15H10N.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*1-3-11-7-6-9-13-12-8-4-5-10-14(12)16(2)15(11)13;;/h1-20H,21-22H2;2*4-10H,2H3;;/q;2*-1;2*+1/p+2
InChIKeyCXEDNCIAMBDYCI-UHFFFAOYSA-P
MW1202.88 g/mol
LogP11.25
Rot. Bonds7

About 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+))

2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+)) (PubChem CID 164789588) has the molecular formula C56H46Au2N2P2+2 and a molecular weight of 1202.88 g/mol. Its IUPAC name is 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+)).

Molecular Properties

Compound Name2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+))
PubChem CID164789588
Molecular FormulaC56H46Au2N2P2+2
Molecular Weight1202.88 g/mol
Exact Mass1202.25
IUPAC Name2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1cccc2c3ccccc3n(C)c12.[C-]#Cc1cccc2c3ccccc3n(C)c12.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C15H10N.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*1-3-11-7-6-9-13-12-8-4-5-10-14(12)16(2)15(11)13;;/h1-20H,21-22H2;2*4-10H,2H3;;/q;2*-1;2*+1/p+2
InChIKeyCXEDNCIAMBDYCI-UHFFFAOYSA-P
XLogP11.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.88
LogP ≤ 511.25
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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Related Compounds

disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)
CID 162499763
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))
CID 164789760
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylphenanthrene);gold(1+)
CID 162499383
cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+))
CID 164790488
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyltetracene)
CID 162499534
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499688
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
1-ethyl-9-methylcarbazole
CID 21455608
9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
CID 122501128
1-fluoro-9-methylcarbazole
CID 139447921
ethane;9-methylcarbazol-1-amine
CID 142426342
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynylphenanthrene);gold(1+)
CID 162499526

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+))?
The IUPAC name of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+)) (CID 164789588) is 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+)).
What is the SMILES notation for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+))?
The canonical SMILES for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1cccc2c3ccccc3n(C)c12.[C-]#Cc1cccc2c3ccccc3n(C)c12.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+))?
The InChIKey is CXEDNCIAMBDYCI-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H24P2.2C15H10N.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*1-3-11-7-6-9-13-12-8-4-5-10-14(12)16(2)15(11)13;;/h1-20H,21-22H2;2*4-10H,2H3;;/q;2*-1;2*+1/p+2.
What are the key properties of 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+))?
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+)) has a molecular weight of 1202.88 g/mol, XLogP of 11.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-9-methylcarbazole);bis(gold(1+)) is sourced from PubChem (CID 164789588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).