(S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline

Catalog Number	ACM149341333
CAS	149341-33-3
Structure
Synonyms	(S)-(−)-1-(2-Diphenylphosphino-1-naphthyl)isoquinoline; (S)-QUINAP
IUPAC Name	(1-isoquinolin-1-ylnaphthalen-2-yl)-diphenylphosphane
Molecular Weight	439.49
Molecular Formula	C31H22NP
InChI	YMJAIEYASUCCMJ-UHFFFAOYSA-N
InChI Key	InChI=1S/C31H22NP/c1-3-13-25(14-4-1)33(26-15-5-2-6-16-26)29-20-19-23-11-7-9-17-27(23)30(29)31-28-18-10-8-12-24(28)21-22-32-31/h1-22H
Boiling Point	588.1±38.0 °C(Predicted)
Melting Point	220-230 °C
Purity	98%+
Appearance	Solid
Isomeric SMILES	C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=NC=CC6=CC=CC=C65
pKa	4.45±0.30(Predicted)

Q&A

What is the InChIKey of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline?

The InChIKey of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline is YMJAIEYASUCCMJ-UHFFFAOYSA-N.

What is the CAS number of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline?

The CAS number of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline is 149341-34-4.

What is the Canonical SMILES representation of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline?

The Canonical SMILES representation of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline is C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=NC=CC6=CC=CC=C65.

How many hydrogen bond acceptors are present in (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline?

There is one hydrogen bond acceptor present in (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline.

What is the XLogP3 value of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline?

The XLogP3 value of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline is 7.7.

What are some of the synonyms of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline?

Some synonyms of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline include QUINAP, (R)-(+)-1-(2-DIPHENYLPHOSPHINO-1-NAPHTHYL)ISOQUINOLINE, and SCHEMBL225995.

What is the European Community (EC) Number associated with (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline?

The European Community (EC) Number is 695-230-7.

What is the molecular weight of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline?

The molecular weight of (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline is 439.5g/mol.

Is (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline optically active?

Yes, (S)-1-(2-(Diphenylphosphino)naphthalen-1-yl)isoquinoline is optically active with the (S)- configuration.