Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I)

Catalog Number	ACM25753848-1
CAS	25753-84-8
Structure
Synonyms	Bromocopper;1,10-phenanthroline;triphenylphosphane
Molecular Weight	585.9
Molecular Formula	C30H23BrCuN2P
Canonical SMILES	C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cu]Br
InChI	InChI=1S/C18H15P.C12H8N2.BrH.Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-15H;1-8H;1H;/q;+1/p-1
InChI Key	XKXXFZLAZILJJE-UHFFFAOYSA-M
Purity	98%
Appearance	Powder
Application	Copper-catalyzed coupling of imidazoles and pyrazoles with 1,1-dibromo-1-alkenes: a distinct approach for direct Nalkynylation of heteroarenes. Synthesis of benzoindoloquinolizines via a Cu(I)-mediated C-N bond formation. Efficient synthesis of 1,4-disubstituted triazolyl N-carboxamides via a simple and convenient MCR using basic alumina as a solid support. Cu(I) complexes with diethoxyphosphoryl-1,10-phenanthrolines in catalysis of C-C and C-heteroatom bond formation.
Exact Mass	584.00782
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Monoisotopic Mass	584.00782
Rotatable Bond Count	3
Topological Polar Surface Area	25.8 Ų

Q&A

What is the molecular formula of Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I)?

The molecular formula is C30H23BrCuN2P.

What are the synonyms for Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I)?

The synonyms are bromocopper;1,10-phenanthroline;triphenylphosphane and cubr(phen)(pph3).

What is the molecular weight of Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I)?

The molecular weight is 585.9 g/mol.

What are the component compounds of Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I)?

The component compounds are 1,10-Phenanthroline, Copper(I) bromide, and Triphenylphosphine.

What is the IUPAC name of Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I)?

The IUPAC name is bromocopper;1,10-phenanthroline;triphenylphosphane.

What is the InChI of Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I)?

The InChI is InChI=1S/C18H15P.C12H8N2.BrH.Cu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;/h1-15H;1-8H;1H;/q;;;+1/p-1.

What is the InChIKey of Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I)?

The InChIKey is XKXXFZLAZILJJE-UHFFFAOYSA-M.

What is the Canonical SMILES of Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I)?

The Canonical SMILES is C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cu]Br.

How many hydrogen bond donor counts does Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I) have?

It has 0 hydrogen bond donor counts.

How many rotatable bond counts does Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I) have?

It has 3 rotatable bond counts.