dichloroiridium(1+);bis(ethane-1,2-diamine);chloride

C4H16Cl3IrN4 — CID 22377686

IUPACdichloroiridium(1+);bis(ethane-1,2-diamine);chloride
SMILESCl[Ir+]Cl.NCCN.NCCN.[Cl-]
InChIInChI=1S/2C2H8N2.3ClH.Ir/c2*3-1-2-4;;;;/h2*1-4H2;3*1H;/q;;;;;+3/p-3
InChIKeyMMYJRKJTEWQYBH-UHFFFAOYSA-K
MW418.78 g/mol
LogP-3.81
Rot. Bonds2

About dichloroiridium(1+);bis(ethane-1,2-diamine);chloride

dichloroiridium(1+);bis(ethane-1,2-diamine);chloride (PubChem CID 22377686) has the molecular formula C4H16Cl3IrN4 and a molecular weight of 418.78 g/mol. Its IUPAC name is dichloroiridium(1+);bis(ethane-1,2-diamine);chloride.

Molecular Properties

Compound Namedichloroiridium(1+);bis(ethane-1,2-diamine);chloride
PubChem CID22377686
Molecular FormulaC4H16Cl3IrN4
Molecular Weight418.78 g/mol
Exact Mass418.01
IUPAC Namedichloroiridium(1+);bis(ethane-1,2-diamine);chloride
SMILESCl[Ir+]Cl.NCCN.NCCN.[Cl-]
InChIInChI=1S/2C2H8N2.3ClH.Ir/c2*3-1-2-4;;;;/h2*1-4H2;3*1H;/q;;;;;+3/p-3
InChIKeyMMYJRKJTEWQYBH-UHFFFAOYSA-K
XLogP-3.81
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.78
LogP ≤ 5-3.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dichloroiridium(1+);bis(ethane-1,2-diamine);chloride?
The IUPAC name of dichloroiridium(1+);bis(ethane-1,2-diamine);chloride (CID 22377686) is dichloroiridium(1+);bis(ethane-1,2-diamine);chloride.
What is the SMILES notation for dichloroiridium(1+);bis(ethane-1,2-diamine);chloride?
The canonical SMILES for dichloroiridium(1+);bis(ethane-1,2-diamine);chloride is Cl[Ir+]Cl.NCCN.NCCN.[Cl-].
What is the InChIKey of dichloroiridium(1+);bis(ethane-1,2-diamine);chloride?
The InChIKey is MMYJRKJTEWQYBH-UHFFFAOYSA-K. The full InChI is InChI=1S/2C2H8N2.3ClH.Ir/c2*3-1-2-4;;;;/h2*1-4H2;3*1H;/q;;;;;+3/p-3.
What are the key properties of dichloroiridium(1+);bis(ethane-1,2-diamine);chloride?
dichloroiridium(1+);bis(ethane-1,2-diamine);chloride has a molecular weight of 418.78 g/mol, XLogP of -3.81, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiridium(1+);bis(ethane-1,2-diamine);chloride is sourced from PubChem (CID 22377686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).