iridium;bis(triphenylphosphane);hydrobromide

C36H31BrIrP2 — CID 173399241

IUPACiridium;bis(triphenylphosphane);hydrobromide
SMILESBr.[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.BrH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-15H;1H;
InChIKeyXAQDOHCBSVIEJW-UHFFFAOYSA-N
MW797.71 g/mol
LogP7.47
Rot. Bonds6

About iridium;bis(triphenylphosphane);hydrobromide

iridium;bis(triphenylphosphane);hydrobromide (PubChem CID 173399241) has the molecular formula C36H31BrIrP2 and a molecular weight of 797.71 g/mol. Its IUPAC name is iridium;bis(triphenylphosphane);hydrobromide.

Molecular Properties

Compound Nameiridium;bis(triphenylphosphane);hydrobromide
PubChem CID173399241
Molecular FormulaC36H31BrIrP2
Molecular Weight797.71 g/mol
Exact Mass797.07
IUPAC Nameiridium;bis(triphenylphosphane);hydrobromide
SMILESBr.[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.BrH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-15H;1H;
InChIKeyXAQDOHCBSVIEJW-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.71
LogP ≤ 57.47
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

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tris(triphenylphosphane);trihydrochloride
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CID 87948921
CID 87948921
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Frequently Asked Questions

What is the IUPAC name of iridium;bis(triphenylphosphane);hydrobromide?
The IUPAC name of iridium;bis(triphenylphosphane);hydrobromide (CID 173399241) is iridium;bis(triphenylphosphane);hydrobromide.
What is the SMILES notation for iridium;bis(triphenylphosphane);hydrobromide?
The canonical SMILES for iridium;bis(triphenylphosphane);hydrobromide is Br.[Ir].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of iridium;bis(triphenylphosphane);hydrobromide?
The InChIKey is XAQDOHCBSVIEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.BrH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h2*1-15H;1H;.
What are the key properties of iridium;bis(triphenylphosphane);hydrobromide?
iridium;bis(triphenylphosphane);hydrobromide has a molecular weight of 797.71 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;bis(triphenylphosphane);hydrobromide is sourced from PubChem (CID 173399241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).