bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)

C44H38AuBrN8P4-2 — CID 88596830

IUPACbromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)
SMILESBr[Au].c1ccc(P([CH-]CP(c2ccccn2)c2ccccn2)c2ccccn2)nc1.c1ccc(P([CH-]CP(c2ccccn2)c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/2C22H19N4P2.Au.BrH/c2*1-5-13-23-19(9-1)27(20-10-2-6-14-24-20)17-18-28(21-11-3-7-15-25-21)22-12-4-8-16-26-22;;/h2*1-17H,18H2;;1H/q2*-1;+1;/p-1
InChIKeyZIBIHGVTEXHEAX-UHFFFAOYSA-M
MW1079.61 g/mol
LogP6.83
Rot. Bonds14

About bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)

bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane) (PubChem CID 88596830) has the molecular formula C44H38AuBrN8P4-2 and a molecular weight of 1079.61 g/mol. Its IUPAC name is bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane).

Molecular Properties

Compound Namebromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)
PubChem CID88596830
Molecular FormulaC44H38AuBrN8P4-2
Molecular Weight1079.61 g/mol
Exact Mass1078.10
IUPAC Namebromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)
SMILESBr[Au].c1ccc(P([CH-]CP(c2ccccn2)c2ccccn2)c2ccccn2)nc1.c1ccc(P([CH-]CP(c2ccccn2)c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/2C22H19N4P2.Au.BrH/c2*1-5-13-23-19(9-1)27(20-10-2-6-14-24-20)17-18-28(21-11-3-7-15-25-21)22-12-4-8-16-26-22;;/h2*1-17H,18H2;;1H/q2*-1;+1;/p-1
InChIKeyZIBIHGVTEXHEAX-UHFFFAOYSA-M
XLogP6.83
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.61
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)?
The IUPAC name of bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane) (CID 88596830) is bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane).
What is the SMILES notation for bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)?
The canonical SMILES for bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane) is Br[Au].c1ccc(P([CH-]CP(c2ccccn2)c2ccccn2)c2ccccn2)nc1.c1ccc(P([CH-]CP(c2ccccn2)c2ccccn2)c2ccccn2)nc1.
What is the InChIKey of bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)?
The InChIKey is ZIBIHGVTEXHEAX-UHFFFAOYSA-M. The full InChI is InChI=1S/2C22H19N4P2.Au.BrH/c2*1-5-13-23-19(9-1)27(20-10-2-6-14-24-20)17-18-28(21-11-3-7-15-25-21)22-12-4-8-16-26-22;;/h2*1-17H,18H2;;1H/q2*-1;+1;/p-1.
What are the key properties of bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)?
bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane) has a molecular weight of 1079.61 g/mol, XLogP of 6.83, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane) is sourced from PubChem (CID 88596830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).