Tris(norbornadiene)(acetylacetonato)iridium(III)

• CAS: 41612-46-8
• Catalog Number: ACM41612468
• Category: Iridium series of catalysts
• Molecular Weight: 567.7
• Molecular Formula: C₂₆H₃₁IrO₂
• Synonyms: Trisnorbornadieneacetylacetonatoiridium
• IUPAC Name: Bicyclo[2.2.1]hepta-2,5-diene;iridium;(Z)-4-oxopent-2-en-2-olate
• Canonical SMILES: CC(=CC(=O)C)[O-].C1C2C=CC1C=C2.C1C2C=CC1C=C2.C1C2C=CC1C=C2.[Ir]
• InChI: InChI=1S/3C7H8.C5H8O2.Ir/c3*1-2-7-4-3-6(1)5-7;1-4(6)3-5(2)7;/h3*1-4,6-7H,5H2;3,6H,1-2H3;/p-1/b;4-3-
• InChI Key: ATNPDBQVYULDKK-YOLRLSNNSA-M
• Melting Point: 189 °C
• Appearance: Light yellow powder
• Complexity: 193
• Exact Mass: 568.19533
• Heavy Atom Count: 29
• MDL Number: MFCD28167048
• Monoisotopic Mass: 568.19533
• Topological Polar Surface Area: 40.1 Ų

Custom Q&A

What is the molecular weight of Tris(norbornadiene)(acetylacetonato)iridium(III)?

The molecular weight is 567.7 g/mol.

What is the IUPAC name of Tris(norbornadiene)(acetylacetonato)iridium(III)?

The IUPAC name is bicyclo[2.2.1]hepta-2,5-diene;iridium;(Z)-4-oxopent-2-en-2-olate.

What is the Canonical SMILES of Tris(norbornadiene)(acetylacetonato)iridium(III)?

The Canonical SMILES is CC(=CC(=O)C)[O-].C1C2C=CC1C=C2.C1C2C=CC1C=C2.C1C2C=CC1C=C2.[Ir].

How many hydrogen bond donor counts are there in Tris(norbornadiene)(acetylacetonato)iridium(III)?

There are 0 hydrogen bond donor counts.

What is the molecular formula of Tris(norbornadiene)(acetylacetonato)iridium(III)?

The molecular formula is C26H31IrO2.

What is the topological polar surface area of Tris(norbornadiene)(acetylacetonato)iridium(III)?

The topological polar surface area is 40.1?2.

How many heavy atoms are there in Tris(norbornadiene)(acetylacetonato)iridium(III)?

There are 29 heavy atoms.

Is Tris(norbornadiene)(acetylacetonato)iridium(III) canonicalized?

Yes, the compound is canonicalized.

How many defined bond stereocenters are there in Tris(norbornadiene)(acetylacetonato)iridium(III)?

There is 1 defined bond stereocenter.

When was Tris(norbornadiene)(acetylacetonato)iridium(III) created and last modified?

It was created on May 22, 2019, and last modified on December 30, 2023.