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bis(bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide) bis(binap) bis(dimethylamine) dihydrochloride dichloride

bis(bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide) bis(binap) bis(dimethylamine) dihydrochloride dichloride

CAS: 199541-17-8

Formula: C92H80Cl10N2P4Ru4

SMILES: Cl.Cl.[Cl-].[Cl-].CNC.CNC.[Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2.[Cl+]1[Ru-]2[Cl+][Ru-]1[Cl+]2.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=C(C2=CC=CC=C2C=C1)C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=C(C2=CC=CC=C2C=C1)C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: bis([2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane) bis(bicyclo[1.1.1]diruthenachlorane-2,4,5-tris(ylium)-1,3-diuide) bis(dimethylamine) dihydrochloride dichloride

InChI: InChI=1S/2C44H32P2.2C2H7N.4ClH.6Cl.4Ru/c2*1-5-19-35(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;2*1-3-2;;;;;;;;;;;;;;/h2*1-32H;2*3H,1-2H3;4*1H;;;;;;;;;;/q;;;

Composition: C (52.71%), H (3.85%), Cl (16.91%), N (1.34%), P (5.91%), Ru (19.29%)

Molar Mass: 2096.34

Atom Count: 192

Heavy Atom Count: 112

Properties
Properties
Common Names N/A
Aromatic Ring Count 16
Asymmetric Atom Count 0
Exact Mass 2093.833102
Formal Charge 0
FSP3 0.04
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey GCRMCHVAQXRELP-UHFFFAOYSA-L
Lipinski's Rule of Five
Molar Refractivity 195.22
Topological Polar Surface Area 0
Polarizability 80.67
Ring Count 20
Rotatable Bond Count 12

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 199541-17-8 $36.23-$135.59$36.23$135.59
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Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 199541-17-8 $50.60-$558.90$50.60$205.85$558.90
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