N-XantPhos

• CAS: 261733-18-0
• Catalog Number: ACM261733180
• Category: Other Products
• Molecular Weight: 551.566g/mol
• Molecular Formula: C36H27NOP2
• Synonyms: Bis(diphenylphosphino)phenoxazine; DTXSID70390703; TRA0045396; 4,6-bis(diphenylphosphino)-phenoxazine; N-XantPhos, 97%; BB0294709; B2717; 4,6-Bis(diphenylphosphino)phenoxazine; 10H-Phenoxazine, 4,6-bis(diphenylphosphino)-; DB-009532
• IUPAC Name: (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane
• Canonical SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(N4)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
• InChI: InChI=1S/C36H27NOP2/c1-5-15-27(16-6-1)39(28-17-7-2-8-18-28)33-25-13-23-31-35(33)38-36-32(37-31)24-14-26-34(36)40(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26,37H
• InChI Key: HSWZLYXRAOXOLL-UHFFFAOYSA-N
• Application: A large bite-angle chelating bisphosphine that provides high levels of linear-to-branched selectivity in the hydroformylation of alkenes.; ; A Deprotonatable Ligand for Room-Temperature Palladium-Catalyzed Cross-Couplings of Aryl Chlorides.
• Complexity: 671
• Covalently-Bonded Unit Count: 1
• Exact Mass: 551.157g/mol
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 40
• Monoisotopic Mass: 551.157g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 21.3A^2

Custom Q&A

What is the molecular formula of N-XantPhos?

The molecular formula of N-XantPhos is C36H27NOP2.

When was N-XantPhos created and last modified?

N-XantPhos was created on September 6, 2005, and last modified on December 30, 2023.

What is the molecular weight of N-XantPhos?

The molecular weight of N-XantPhos is 551.6 g/mol.

What is the IUPAC name of N-XantPhos?

The IUPAC name of N-XantPhos is (6-diphenylphosphanyl-10H-phenoxazin-4-yl)-diphenylphosphane.

What is the Canonical SMILES of N-XantPhos?

The Canonical SMILES of N-XantPhos is C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3OC5=C(N4)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7.

What is the InChIKey of N-XantPhos?

The InChIKey of N-XantPhos is HSWZLYXRAOXOLL-UHFFFAOYSA-N.

What is the CAS number of N-XantPhos?

The CAS number of N-XantPhos is 261733-18-0.

How many hydrogen bond donor counts are there in N-XantPhos?

There is 1 hydrogen bond donor count in N-XantPhos.

How many rotatable bond counts are there in N-XantPhos?

There are 6 rotatable bond counts in N-XantPhos.

Is the compound of N-XantPhos canonicalized?

Yes, the compound of N-XantPhos is canonicalized.