Synonyms
MFCD09753034; J-018209; DIMETHYLAMMONIUM DICHLOROTRI(MU-CHLORO)BIS[(S)-(-)-2,2'-BIS(DI-P-TOLYLPHOSPHINO)-1,1'-BINAPHTHYL]DIRUTHENATE(II); (S)-[(RuCl (T-BINAP))2( -Cl)3[NH2Me2]; (S)-[(RuCl (T-BINAP))2(mu-Cl)3[NH2Me2];
IUPAC Name
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;N-methylmethanamine;hydrochloride;
Molecular Weight
1783.074g/mol
Molecular Formula
C98H88Cl5NP4Ru2;
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[Ru]Cl.Cl[Ru]Cl;
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*+2/p-4;
InChI Key
FAAFCSOHMVBJIS-UHFFFAOYSA-J;
Storage
2-8°C
Complexity
902
Covalently-Bonded Unit Count
6
Exact Mass
1786.241g/mol
H-Bond Acceptor
1
H-Bond Donor
2
Heavy Atom Count
110
Monoisotopic Mass
1781.24g/mol
Rotatable Bond Count
14
Topological Polar Surface Area
12A^2
