(S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine

Catalog Number	ACM828927942-1
CAS	828927-94-2
Structure
Synonyms	(R,S)-O-PINAP
IUPAC Name	diphenyl-[1-[4-(1-phenylethoxy)phthalazin-1-yl]naphthalen-2-yl]phosphane
Molecular Weight	560.62
Molecular Formula	C38H29N2OP
InChI	CRRMWTXRDGJNLJ-UHFFFAOYSA-N
InChI Key	InChI=1S/C38H29N2OP/c1-27(28-15-5-2-6-16-28)41-38-34-24-14-13-23-33(34)37(39-40-38)36-32-22-12-11-17-29(32)25-26-35(36)42(30-18-7-3-8-19-30)31-20-9-4-10-21-31/h2-27H,1H3
Boiling Point	726.4±60.0 °C(Predicted)
Melting Point	178-181 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	CC(C1=CC=CC=C1)OC2=NN=C(C3=CC=CC=C32)C4=C(C=CC5=CC=CC=C54)P(C6=CC=CC=C6)C7=CC=CC=C7
pKa	3.45±0.30(Predicted)

Q&A

What is the IUPAC name of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine?

The IUPAC name of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine is diphenyl-[1-[4-[(1R)-1-phenylethoxy]phthalazin-1-yl]naphthalen-2-yl]phosphane.

What is the molecular formula of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine?

The molecular formula of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine is C38H29N2OP.

What is the molecular weight of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine?

The molecular weight of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine is 560.6g/mol.

What is the canonical SMILES representation of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine?

The canonical SMILES representation of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine is CC(C1=CC=CC=C1)OC2=NN=C(C3=CC=CC=C32)C4=C(C=CC5=CC=CC=C54)P(C6=CC=CC=C6)C7=CC=CC=C7.

What is the Monoisotopic Mass of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine?

The Monoisotopic Mass of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine is 560.20175055.

How many heavy atoms are present in (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine?

There are 42 heavy atoms present in (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine.

What is the XLogP3 value of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine?

The XLogP3 value of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine is 8.9.

What is the InChI key of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine?

The InChI key of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine is CRRMWTXRDGJNLJ-HHHXNRCGSA-N.

What are some Depositor-Supplied Synonyms of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine?

Some Depositor-Supplied Synonyms of (S)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine are MFCD11973799, CS-0088702, and (R)-4-[2-(Diphenylphosphino)-1-naphthalenyl]-N-[(R)-1-phenylethoxy]phthalazine.