CAS 1102-19-8|benzyl viologen dichloride|BENZYL VIOLOGEN|1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium dichloride|1,1′-二苄基-4,4′-二吡啶二氯化物|1,1′-Dibenzyl-4,4′-bipyridinium dichlorid...

General Information

Structure

Molecular Formula

C₂₄H₂₂Cl₂N₂

Molecular Mass

409.35088

Exact Mass

408.11600407

Charge

InChI

InChI=1S/C24H22N2.2ClH/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22;;/h1-18H,19-20H2;2*1H/q+2;;/p-2

InChIKey

NLOIIDFMYPFJKP-UHFFFAOYSA-L

Canonic Smiles

c1ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1ccccc1.[Cl-].[Cl-]

Isomeric Smiles

[Cl-].[Cl-].C(c1ccccc1)[n+]1ccc(cc1)c1cc[n+](Cc2ccccc2)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.252664

LogD (pH = 7.4)

-3.252664

Log P

-3.252664

Molar Refractivity

108.4164

Polarizability

42.85629

Polar Surface Area

7.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

BENZYL VIOLOGEN1,1′-二苄基-4,4′-二吡啶二氯化物1,1′-Dibenzyl-4,4′-bipyridinium dichlorideBenzyl viologen dichloride1,1′-Dibenzyl-4,4′-bipyridinium dichloride1,1'-二苄基-4,4'-联吡啶二氯化物1,1′-二苄基-4,4′-联吡啶二氯化物1,1'-二苄基-4,4'-二吡啶二氯化物Benzyl viologen dichloride

IUPAC Traditional name

benzyl viologen dichloride

IUPAC name

1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium dichloride

Names and Identifiers

Registration numbers

EC Number

214-158-5

CAS Number

1102-19-8

PubChem CID

14195