(2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline

Catalog Number	ACM1562581183
CAS	1562581-18-3
Synonyms	[2-[(2S,3S,4aR,8aR)-3-(2-Diphenylphosphanylphenyl)-1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]phenyl]-diphenylphosphane
IUPAC Name	[2-[(2S,3S,4aR,8aR)-3-(2-diphenylphosphanylphenyl)-1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]phenyl]-diphenylphosphane
Molecular Weight	688.82
Molecular Formula	C46H46N2P2
InChI	GLAGDVXPTFPLAJ-KTKZDIBBSA-N
InChI Key	InChI=1S/C46H46N2P2/c1-47-41-31-17-18-32-42(41)48(2)46(40-30-16-20-34-44(40)50(37-25-11-5-12-26-37)38-27-13-6-14-28-38)45(47)39-29-15-19-33-43(39)49(35-21-7-3-8-22-35)36-23-9-4-10-24-36/h3-16,19-30,33-34,41-42,45-46H,17-18,31-32H2,1-2H3/t41-,42-,45+,46+/m1/s1
Purity	98%
Isomeric SMILES	CN1[C@@H]2CCCC[C@H]2N([C@H]([C@@H]1C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6P(C7=CC=CC=C7)C8=CC=CC=C8)C

Q&A

What is the molecular formula of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline?

The molecular formula of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline is C46H46N2P2.

What is the IUPAC name of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline?

The IUPAC name of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline is [2-[(2S,3S,4aR,8aR)-3-(2-diphenylphosphanylphenyl)-1,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]phenyl]-diphenylphosphane.

What is the molecular weight of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline?

The molecular weight of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline is 688.8 g/mol.

What is the exact mass of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline?

The exact mass of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline is 688.31362347.

How many heavy atoms are present in (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline?

There are 50 heavy atoms present in (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline.

How many rotatable bonds does (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline have?

(2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline has 8 rotatable bonds.

What is the Canonical SMILES representation of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline?

CN1C2CCCCC2N(C(C1C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6P(C7=CC=CC=C7)C8=CC=CC=C8)C

What is the XLogP3 value of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline?

The XLogP3 value of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline is 9.8.

How many topological polar surface areas does (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline have?

(2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline has a topological polar surface area of 6.5.

What is the InChIKey of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline?

The InChIKey of (2S,3S,4aR,8aR)-2,3-Bis[2-(diphenylphosphino)phenyl]-1,4-dimethyldecahydroquinoxaline is GLAGDVXPTFPLAJ-KTKZDIBBSA-N.