2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride

C62H54Au2Cl2P4 — CID 11981349

IUPAC2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
SMILES[Au+].[Au+].[Cl-].[Cl-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C18H15P.2Au.2ClH/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*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-20H,21-22H2;2*1-15H;;;2*1H/q;;;2*+1;;/p-2
InChIKeySPHZCYKZUDXGJV-UHFFFAOYSA-L
MW1387.85 g/mol
LogP6.14
Rot. Bonds13

About 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride

2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride (PubChem CID 11981349) has the molecular formula C62H54Au2Cl2P4 and a molecular weight of 1387.85 g/mol. Its IUPAC name is 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride.

Molecular Properties

Compound Name2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
PubChem CID11981349
Molecular FormulaC62H54Au2Cl2P4
Molecular Weight1387.85 g/mol
Exact Mass1386.19
IUPAC Name2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
SMILES[Au+].[Au+].[Cl-].[Cl-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.2C18H15P.2Au.2ClH/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*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-20H,21-22H2;2*1-15H;;;2*1H/q;;;2*+1;;/p-2
InChIKeySPHZCYKZUDXGJV-UHFFFAOYSA-L
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001387.85
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
triphenylphosphane;yttrium
CID 139917776
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
ruthenium(2+);tetrakis(triphenylphosphane);dichloride
CID 46940376
rhodium(3+);nonakis(triphenylphosphane);trichloride
CID 173040367
phosphanium;tris(triphenylphosphane);chloride
CID 160938283
ruthenium(2+);triphenylphosphane;chloride
CID 56645241
triphenylphosphane
CID 139056248
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride?
The IUPAC name of 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride (CID 11981349) is 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride.
What is the SMILES notation for 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride?
The canonical SMILES for 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride is [Au+].[Au+].[Cl-].[Cl-].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride?
The InChIKey is SPHZCYKZUDXGJV-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H24P2.2C18H15P.2Au.2ClH/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*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h1-20H,21-22H2;2*1-15H;;;2*1H/q;;;2*+1;;/p-2.
What are the key properties of 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride?
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride has a molecular weight of 1387.85 g/mol, XLogP of 6.14, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride is sourced from PubChem (CID 11981349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).