Synonyms
Dimethylammoniumdichlorotri(mu-chloro)bis[(S)-(-)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl]diruthenate(II); (S)-[(RuCl(T-BINAP))2(|I-Cl)3[NH2Me2]; (S)-[(RuCl(T-BINAP))2(mu-Cl)3[NH2Me2]; NH2ME2][(RUCL((S)-TOLBINAP))2(MU-CL)3; (R)-[(RUCL(T-BINAP))]2(MU-CL)3[NH2ME2]; (R)-[(RuCl(T-BINAP))2(|I-Cl)3[NH2Me2]; (R)-[(RuCl(T-BINAP))2(mu-Cl)3[NH2Me2]; (S)-[(RUCL(T-BINAP))2(MU-CL)3[NH2ME2]]; 749935-02-2;
IUPAC Name
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride;
Molecular Weight
1786.098g/mol
Molecular Formula
C98H91Cl5NP4Ru2+;
Canonical SMILES
CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.CNC.Cl.[Cl-].[ClH+][Ru-]([ClH+])[ClH+].[Ru];
InChI
InChI=1S/2C48H40P2.C2H7N.5ClH.2Ru/c2*1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-3-2;;;;;;;/h2*5-32H,1-4H3;3H,1-2H3;5*1H;;/q;;;;;;;;;+2/p-1;
InChI Key
BKLYSQLZSZMPAP-UHFFFAOYSA-M;
Storage
2-8°C
Complexity
909
Covalently-Bonded Unit Count
7
Exact Mass
1789.265g/mol
Formal Charge
1
H-Bond Acceptor
3
H-Bond Donor
5
Heavy Atom Count
110
Monoisotopic Mass
1784.263g/mol
Rotatable Bond Count
14
Topological Polar Surface Area
12A^2
