bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)

C52H48AuBrP4 — CID 15017629

IUPACbromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
SMILESBr[Au].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.Au.BrH/c2*1-5-13-23(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;;/h2*1-20H,21-22H2;;1H/q;;+1;/p-1
InChIKeyFBSCIKISTOMACH-UHFFFAOYSA-M
MW1073.72 g/mol
LogP11.35
Rot. Bonds14

About bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)

bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane) (PubChem CID 15017629) has the molecular formula C52H48AuBrP4 and a molecular weight of 1073.72 g/mol. Its IUPAC name is bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane).

Molecular Properties

Compound Namebromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
PubChem CID15017629
Molecular FormulaC52H48AuBrP4
Molecular Weight1073.72 g/mol
Exact Mass1072.16
IUPAC Namebromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
SMILESBr[Au].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.Au.BrH/c2*1-5-13-23(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;;/h2*1-20H,21-22H2;;1H/q;;+1;/p-1
InChIKeyFBSCIKISTOMACH-UHFFFAOYSA-M
XLogP11.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.72
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)?
The IUPAC name of bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane) (CID 15017629) is bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane).
What is the SMILES notation for bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)?
The canonical SMILES for bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane) is Br[Au].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)?
The InChIKey is FBSCIKISTOMACH-UHFFFAOYSA-M. The full InChI is InChI=1S/2C26H24P2.Au.BrH/c2*1-5-13-23(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;;/h2*1-20H,21-22H2;;1H/q;;+1;/p-1.
What are the key properties of bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)?
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane) has a molecular weight of 1073.72 g/mol, XLogP of 11.35, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane) is sourced from PubChem (CID 15017629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).