(S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole

Catalog Number	ACM1401802605
CAS	1401802-60-5
Synonyms	[2-[(4S)-5,5-Dinaphthalen-2-yl-4-propan-2-yl-4H-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
IUPAC Name	[2-[(4S)-5,5-dinaphthalen-2-yl-4-propan-2-yl-4H-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
Molecular Weight	625.74
Molecular Formula	C44H36NOP
InChI	TWWAISZVKJKABQ-WBCKFURZSA-N
InChI Key	InChI=1S/C44H36NOP/c1-31(2)42-44(36-27-25-32-15-9-11-17-34(32)29-36,37-28-26-33-16-10-12-18-35(33)30-37)46-43(45-42)40-23-13-14-24-41(40)47(38-19-5-3-6-20-38)39-21-7-4-8-22-39/h3-31,42H,1-2H3/t42-/m0/s1
Purity	98%
Isomeric SMILES	CC(C)[C@H]1C(OC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC6=CC=CC=C6C=C5)C7=CC8=CC=CC=C8C=C7

Q&A

What is the molecular formula of (S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole?

The molecular formula is C44H36NOP.

What is the exact mass of (S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole?

The exact mass is 625.25345177.

What is the IUPAC name of (S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole?

The IUPAC name is [2-[(4S)-5,5-dinaphthalen-2-yl-4-propan-2-yl-4H-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.

How many heavy atoms are present in (S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole?

There are 47 heavy atoms in (S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole.

How many hydrogen bond acceptors are present in (S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole?

There are 2 hydrogen bond acceptors.

How many rotatable bonds are present in (S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole?

There are 7 rotatable bonds.

What is the topological polar surface area of (S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole?

The topological polar surface area is 21.6.

What is the XLogP3 value of (S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole?

The XLogP3 value is 11.

What is the canonical SMILES of (S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole?

CC(C)C1C(OC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC6=CC=CC=C6C=C5)C7=CC8=CC=CC=C8C=C7

What is the InChIKey of (S)-2-(2-(Diphenylphosphanyl)phenyl)-4-isopropyl-5,5-di(naphthalen-2-yl)-4,5-dihydrooxazole?

The InChIKey is TWWAISZVKJKABQ-WBCKFURZSA-N.