2-Diphenylphosphino-2'-(N,N-dimethylamino)biphenyl

Catalog Number	ACM240417009-1
CAS	240417-00-9
Structure
Synonyms	2'-(Diphenylphosphino)-N,N'-Dimethyl-(1,1'-Biphenyl)-2-Amine; PhDavePhos
IUPAC Name	2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline
Molecular Weight	381.45
Molecular Formula	C26H24NP
InChI	JGFXUYLYPITYGR-UHFFFAOYSA-N
InChI Key	InChI=1S/C26H24NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-20H,1-2H3
Boiling Point	514.6±43.0 °C(Predicted)
Melting Point	126-128 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CN(C)C1=CC=CC=C1C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4
pKa	4.96±0.18(Predicted)

Q&A

What is the CAS number of 2-Diphenylphosphino-2'-(N,N-dimethylamino)biphenyl?

The CAS number is 240417-00-9.

How many heavy atoms are present in the molecular structure of 2-Diphenylphosphino-2'-(N,N-dimethylamino)biphenyl?

There are 28 heavy atoms.

What is the Canonical SMILES representation of 2-Diphenylphosphino-2'-(N,N-dimethylamino)biphenyl?

CN(C)C1=CC=CC=C1C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4

How many rotatable bonds are present in the molecule?

There are 5 rotatable bonds.

What is the molecular weight of 2-Diphenylphosphino-2'-(N,N-dimethylamino)biphenyl?

The molecular weight is 381.4g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name is 2-(2-diphenylphosphanylphenyl)-N,N-dimethylaniline.

What is the computed topological polar surface area of the molecule?

The topological polar surface area is 3.2.

How many covalently bonded units are present in the chemical structure?

There is 1 covalently bonded unit.

What is the computed XLogP3 value for the compound?

The XLogP3 value is 6.4.

What is the monoisotopic mass of 2-Diphenylphosphino-2'-(N,N-dimethylamino)biphenyl?

The monoisotopic mass is 381.164636767.