U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C44H32P2.C6H6.2Cl.Ru
Molecular Weight 872.76
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, R

SHOW SMILES / InChI
Structure of ((R)-BINAP RUCL BENZENE)CL

SMILES

[Cl-].[Cl-].[Ru++].C1=CC=CC=C1.C2=CC=C(C=C2)P(C3=CC=CC=C3)C4=C(C5=C(C=CC=C5)C=C4)C6=C(C=CC7=C6C=CC=C7)P(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChIKey=ZXBWEYDPYJZEFT-UHFFFAOYSA-L
InChI=1S/C44H32P2.C6H6.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-2-4-6-5-3-1;;;/h1-32H;1-6H;2*1H;/q;;;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Ru
Molecular Weight 101.07
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C44H32P2
Molecular Weight 622.6724
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H6
Molecular Weight 78.1118
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:16:30 GMT 2025
Edited
by admin
on Wed Apr 02 07:16:30 GMT 2025
Record UNII
C06J9UZM1Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RUTHENIUM(1+), (.ETA.6-BENZENE)((1R)-(1,1'-BINAPHTHALENE)-2,2'-DIYLBIS(DIPHENYLPHOSPHINE-.KAPPA.P))CHLORO-, CHLORIDE
Preferred Name English
((R)-BINAP RUCL BENZENE)CL
Common Name English
Code System Code Type Description
FDA UNII
C06J9UZM1Q
Created by admin on Wed Apr 02 07:16:30 GMT 2025 , Edited by admin on Wed Apr 02 07:16:30 GMT 2025
PRIMARY
PUBCHEM
11072956
Created by admin on Wed Apr 02 07:16:30 GMT 2025 , Edited by admin on Wed Apr 02 07:16:30 GMT 2025
PRIMARY
CAS
124069-39-2
Created by admin on Wed Apr 02 07:16:30 GMT 2025 , Edited by admin on Wed Apr 02 07:16:30 GMT 2025
PRIMARY