iridium(3+);tris(1H-pyrrole)

C12H15IrN3+3 — CID 175787934

IUPACiridium(3+);tris(1H-pyrrole)
SMILES[Ir+3].c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/3C4H5N.Ir/c3*1-2-4-5-3-1;/h3*1-5H;/q;;;+3
InChIKeyUSVSKWGZAUTLJQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.04
Rot. Bonds

About iridium(3+);tris(1H-pyrrole)

iridium(3+);tris(1H-pyrrole) (PubChem CID 175787934) has the molecular formula C12H15IrN3+3 and a molecular weight of 393.49 g/mol. Its IUPAC name is iridium(3+);tris(1H-pyrrole).

Molecular Properties

Compound Nameiridium(3+);tris(1H-pyrrole)
PubChem CID175787934
Molecular FormulaC12H15IrN3+3
Molecular Weight393.49 g/mol
Exact Mass394.09
IUPAC Nameiridium(3+);tris(1H-pyrrole)
SMILES[Ir+3].c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/3C4H5N.Ir/c3*1-2-4-5-3-1;/h3*1-5H;/q;;;+3
InChIKeyUSVSKWGZAUTLJQ-UHFFFAOYSA-N
XLogP3.04
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of iridium(3+);tris(1H-pyrrole)?
The IUPAC name of iridium(3+);tris(1H-pyrrole) (CID 175787934) is iridium(3+);tris(1H-pyrrole).
What is the SMILES notation for iridium(3+);tris(1H-pyrrole)?
The canonical SMILES for iridium(3+);tris(1H-pyrrole) is [Ir+3].c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.
What is the InChIKey of iridium(3+);tris(1H-pyrrole)?
The InChIKey is USVSKWGZAUTLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H5N.Ir/c3*1-2-4-5-3-1;/h3*1-5H;/q;;;+3.
What are the key properties of iridium(3+);tris(1H-pyrrole)?
iridium(3+);tris(1H-pyrrole) has a molecular weight of 393.49 g/mol, XLogP of 3.04, 0 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);tris(1H-pyrrole) is sourced from PubChem (CID 175787934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).