iridium(3+);tris(2-(3-methoxyphenyl)pyridine)

C36H33IrN3O3+3 — CID 22939722

IUPACiridium(3+);tris(2-(3-methoxyphenyl)pyridine)
SMILESCOc1cccc(-c2ccccn2)c1.COc1cccc(-c2ccccn2)c1.COc1cccc(-c2ccccn2)c1.[Ir+3]
InChIInChI=1S/3C12H11NO.Ir/c3*1-14-11-6-4-5-10(9-11)12-7-2-3-8-13-12;/h3*2-9H,1H3;/q;;;+3
InChIKeyWAYLCAAKSPGIDV-UHFFFAOYSA-N
MW747.90 g/mol
LogP8.27
Rot. Bonds6

About iridium(3+);tris(2-(3-methoxyphenyl)pyridine)

iridium(3+);tris(2-(3-methoxyphenyl)pyridine) (PubChem CID 22939722) has the molecular formula C36H33IrN3O3+3 and a molecular weight of 747.90 g/mol. Its IUPAC name is iridium(3+);tris(2-(3-methoxyphenyl)pyridine).

Molecular Properties

Compound Nameiridium(3+);tris(2-(3-methoxyphenyl)pyridine)
PubChem CID22939722
Molecular FormulaC36H33IrN3O3+3
Molecular Weight747.90 g/mol
Exact Mass748.21
IUPAC Nameiridium(3+);tris(2-(3-methoxyphenyl)pyridine)
SMILESCOc1cccc(-c2ccccn2)c1.COc1cccc(-c2ccccn2)c1.COc1cccc(-c2ccccn2)c1.[Ir+3]
InChIInChI=1S/3C12H11NO.Ir/c3*1-14-11-6-4-5-10(9-11)12-7-2-3-8-13-12;/h3*2-9H,1H3;/q;;;+3
InChIKeyWAYLCAAKSPGIDV-UHFFFAOYSA-N
XLogP8.27
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.90
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of iridium(3+);tris(2-(3-methoxyphenyl)pyridine)?
The IUPAC name of iridium(3+);tris(2-(3-methoxyphenyl)pyridine) (CID 22939722) is iridium(3+);tris(2-(3-methoxyphenyl)pyridine).
What is the SMILES notation for iridium(3+);tris(2-(3-methoxyphenyl)pyridine)?
The canonical SMILES for iridium(3+);tris(2-(3-methoxyphenyl)pyridine) is COc1cccc(-c2ccccn2)c1.COc1cccc(-c2ccccn2)c1.COc1cccc(-c2ccccn2)c1.[Ir+3].
What is the InChIKey of iridium(3+);tris(2-(3-methoxyphenyl)pyridine)?
The InChIKey is WAYLCAAKSPGIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H11NO.Ir/c3*1-14-11-6-4-5-10(9-11)12-7-2-3-8-13-12;/h3*2-9H,1H3;/q;;;+3.
What are the key properties of iridium(3+);tris(2-(3-methoxyphenyl)pyridine)?
iridium(3+);tris(2-(3-methoxyphenyl)pyridine) has a molecular weight of 747.90 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);tris(2-(3-methoxyphenyl)pyridine) is sourced from PubChem (CID 22939722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).