(S)-3,3'-Bis(4-nitrophenyl)-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol

Catalog Number	ACM2129645356
CAS	2129645-35-6
IUPAC Name	1-[2-hydroxy-3-(4-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-3-(4-nitrophenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
Molecular Weight	536.57
Molecular Formula	C32H28N2O6
InChI	JSESLMBODIOLEW-UHFFFAOYSA-N
InChI Key	InChI=1S/C32H28N2O6/c35-31-27(19-9-13-23(14-10-19)33(37)38)17-21-5-1-3-7-25(21)29(31)30-26-8-4-2-6-22(26)18-28(32(30)36)20-11-15-24(16-12-20)34(39)40/h9-18,35-36H,1-8H2
Purity	97%
Isomeric SMILES	C1CCC2=C(C(=C(C=C2C1)C3=CC=C(C=C3)[N+](=O)[O-])O)C4=C5CCCCC5=CC(=C4O)C6=CC=C(C=C6)[N+](=O)[O-]

Q&A

What is the molecular weight of the compound with CAS number 2129645-35-6?

The molecular weight is 536.57.

What is the product name of the compound?

The product name is [1,1'-Binaphthalene]-2,2'-diol, 5,5',6,6',7,7',8,8'-octahydro-3,3'-bis(4-nitrophenyl)-, (1S).

What are some synonyms for the compound?

Some synonyms include (S)-3,3'-Bis(4-nitrophenyl)-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diol.

What is the MF (molecular formula) of the compound?

The MF is C32H28N2O6.

What is the predicted boiling point of the compound?

The predicted boiling point is 727.9±60.0 °C.

What is the predicted pka value of the compound?

The predicted pka value is 6.83±0.20.

What is the predicted density of the compound?

The predicted density is 1.343±0.06 g/cm3.

Is the compound optically active?

Yes, the compound is optically active as indicated by the (1S) designation in the product name.

What is the chemical structure of the compound?

The compound has a 1,1'-binaphthalene backbone with 4-nitrophenyl substituents at the 3 and 3' positions.

What is the relevance of this compound in research or industry?

This compound may have applications in various fields such as pharmaceuticals, organic synthesis, and materials science due to its unique structure and optical properties.