Carbonylhydridotris(triphenylphosphine)iridium(I)

Catalog Number	ACM17250258-1
CAS	17250-25-8
Structure
Synonyms	Carbon monoxide;iridium;triphenylphosphane
IUPAC Name	carbon monoxide;iridium;triphenylphosphane;
Molecular Weight	1007.1
Molecular Formula	C55H45IrOP3
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
Purity	99%
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
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

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.