(1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine

Catalog Number	ACM287485863-1
CAS	287485-86-3
Structure
IUPAC Name	(1S,2S)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
Molecular Weight	760.88
Molecular Formula	C52H46N2P2
InChI	JMBTWUBNZRVXAU-XWQGWOARSA-N
InChI Key	InChI=1S/C52H46N2P2/c1-7-23-41(24-8-1)51(53-39-43-27-19-21-37-49(43)55(45-29-11-3-12-30-45)46-31-13-4-14-32-46)52(42-25-9-2-10-26-42)54-40-44-28-20-22-38-50(44)56(47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-38,51-54H,39-40H2/t51-,52-/m0/s1
Boiling Point	819.2±65.0 °C(Predicted)
Melting Point	80-82 °C
Purity	97%+
Isomeric SMILES	C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)NCC3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)NCC6=CC=CC=C6P(C7=CC=CC=C7)C8=CC=CC=C8
pKa	7.79±0.39(Predicted)

Q&A

What is the molecular formula of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine?

The molecular formula of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine is C52H46N2P2.

What is the exact mass of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine?

The exact mass of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine is 760.31362347 g/mol.

How many hydrogen bond acceptors does (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine have?

(1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine has 2 hydrogen bond acceptors.

What is the canonical SMILES representation of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine?

The canonical SMILES representation of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine is C1=CC=C(C=C1)C(C(C2=CC=CC=C2)NCC3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)NCC6=CC=CC=C6P(C7=CC=CC=C7)C8=CC=CC=C8.

What is the IUPAC name of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine?

The IUPAC name of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine is (1S,2S)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine.

How many heavy atoms are present in (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine?

(1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine contains 56 heavy atoms.

What is the XLogP3 value of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine?

The XLogP3 value of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine is 10.8.

What is the InChIKey of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine?

The InChIKey of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine is JMBTWUBNZRVXAU-XWQGWOARSA-N.

What is the depositor-supplied synonym for (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine?

The depositor-supplied synonym for (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine is (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine.

What is the computed properties complexity of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine?

The computed properties complexity of (1S,2S)-N,N-Bis(2-(diphenylphosphino)benzyl)-1,2-diphenylethane-1,2-diamine is 943.