9,9-Dimethyl-4,5-bis(di -tert-butylphosphino) -9H-xanthene

• CAS: 856405-77-1
• Catalog Number: ACM856405771
• Category: Organic Phosphine Compounds
• Molecular Weight: 498.672g/mol
• Molecular Formula: C31H48OP2
• Synonyms: AX8240548; ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane; SCHEMBL1315091; 4,5-bis(di-t-butylphosphino)-9,9-dimethylxanthene; 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene; FT-0728449; ZINC12359415; t-Bu-Xantphos; CS-W009619; DB-009564
• IUPAC Name: ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane
• Canonical SMILES: CC1(C2=C(C(=CC=C2)P(C(C)(C)C)C(C)(C)C)OC3=C1C=CC=C3P(C(C)(C)C)C(C)(C)C)C
• InChI: InChI=1S/C31H48OP2/c1-27(2,3)33(28(4,5)6)23-19-15-17-21-25(23)32-26-22(31(21,13)14)18-16-20-24(26)34(29(7,8)9)30(10,11)12/h15-20H,1-14H3
• InChI Key: ZEIZANJFJXHMNS-UHFFFAOYSA-N
• Application: Ligand used in the cobalt-catalyzed alkenylzincation of unfunctionalized alkynes.; ; Ligand used in the cobalt-catalyzed alkylboration of alkenes.; ; Ligand used in the palladium-catalyzed N-alkylation of amines using primary and secondary alcohols.; ; Ligand used in the palladium-catalyzed methylation of alkynyl C(sp)-H bonds with dimethyl sulfonium ylides
• Complexity: 613
• Covalently-Bonded Unit Count: 1
• Exact Mass: 498.318g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 34
• Monoisotopic Mass: 498.318g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 9.2A^2

Custom Q&A

What is the molecular formula of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino) -9H-xanthene?

The molecular formula is C31H48OP2.

What is the molecular weight of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino) -9H-xanthene?

The molecular weight is 498.7 g/mol.

What is the IUPAC name of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino) -9H-xanthene?

The IUPAC name is ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane.

What is the InChI of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino) -9H-xanthene?

The InChI is InChI=1S/C31H48OP2/c1-27(2,3)33(28(4,5)6)23-19-15-17-21-25(23)32-26-22(31(21,13)14)18-16-20-24(26)34(29(7,8)9)30(10,11)12/h15-20H,1-14H3.

What is the InChIKey of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino) -9H-xanthene?

The InChIKey is ZEIZANJFJXHMNS-UHFFFAOYSA-N.

What is the canonical SMILES of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino) -9H-xanthene?

The canonical SMILES is CC1(C2=C(C(=CC=C2)P(C(C)(C)C)C(C)(C)C)OC3=C1C=CC=C3P(C(C)(C)C)C(C)(C)C).

What is the CAS number of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino) -9H-xanthene?

The CAS number is 856405-77-1.

What is the XLogP3-AA value of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino) -9H-xanthene?

The XLogP3-AA value is 7.4.

What is the hydrogen bond donor count of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino) -9H-xanthene?

The hydrogen bond donor count is 0.

Is 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino) -9H-xanthene a canonicalized compound?

Yes, it is a canonicalized compound.