Carbonylhydridotris(triphenylphosphine)iridium(I)

• CAS: 17250-25-8
• Catalog Number: ACM17250258-1
• Category: Iridium series of catalysts
• Molecular Weight: 1007.1
• Molecular Formula: C55H45IrOP3
• Synonyms: Carbon monoxide;iridium;triphenylphosphane
• IUPAC Name: carbon monoxide;iridium;triphenylphosphane
• Canonical SMILES: [C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ir]
• InChI: InChI=1S/3C18H15P.CO.Ir/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H
• InChI Key: OWVGPTPQWABNND-UHFFFAOYSA-N
• Melting Point: 170 °C
• Appearance: Powder
• Application: Catalyst for ring-opening isomerization of unsymmetrically substituted methylenecyclopropanes into 1,3-dienes; ; Catalyst for asymmetric transfer hydrogenation of aromatic ketones under base-free conditions; ; Catalyst for C-F bond activation for the C-S cross-coupling of aryl fluorides with diaryl disulfides to synthesize thioethers.
• Complexity: 212
• Covalently-Bonded Unit Count: 5
• EC Number: 241-282-7
• Exact Mass: 1007.23125
• H-Bond Acceptor: 1
• Heavy Atom Count: 60
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 1007.23125
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 1 Ų

Custom Q&A

What is the molecular formula of Carbonylhydridotris(triphenylphosphine)iridium(I)?

The molecular formula is C55H45IrOP3.

What is the molecular weight of Carbonylhydridotris(triphenylphosphine)iridium(I)?

The molecular weight is 1007.1 g/mol.

What are the synonyms for Carbonylhydridotris(triphenylphosphine)iridium(I)?

Some synonyms include carbon monoxide; iridium; triphenylphosphane and HYDRIDOCARBONYLTRIS(TRIPHENYLPHOSPHINE)IRIDIUM(I).

When was Carbonylhydridotris(triphenylphosphine)iridium(I) first created?

It was first created on October 26, 2006.

What are the component compounds of Carbonylhydridotris(triphenylphosphine)iridium(I)?

The component compounds include Carbon Monoxide, Triphenylphosphine, and Iridium.

What is the InChIKey for Carbonylhydridotris(triphenylphosphine)iridium(I)?

The InChIKey is OWVGPTPQWABNND-UHFFFAOYSA-N.

How many hydrogen bond acceptor count does Carbonylhydridotris(triphenylphosphine)iridium(I) have?

It has 1 hydrogen bond acceptor count.

What is the topological polar surface area of Carbonylhydridotris(triphenylphosphine)iridium(I)?

The topological polar surface area is 1?2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the European Community (EC) Number for Carbonylhydridotris(triphenylphosphine)iridium(I)?

The EC Number is 241-282-7.