2-diphenylphosphanylethyl(diphenyl)phosphane; 4-ethynylaniline; ruthenium(2+); 1,3,5-triethynylbenzene

Systemtic Name: 2-diphenylphosphanylethyl(diphenyl)phosphane; 4-ethynylaniline; ruthenium(2+); 1,3,5-triethynylbenzene Openeye Name: 2-diphenylphosphanylethyl(diphenyl)phosphane; 4-ethynylaniline; ruthenium(2+); 1,3,5-triethynylbenzene CAS Name: 2-diphenylphosphinoethyl(diphenyl)phosphine; 4-ethynylaniline; ruthenium(2+); 1,3,5-triethynylbenzene IUPAC Name: 2-diphenylphosphanylethyl(diphenyl)phosphane; 4-ethynylaniline; ruthenium(2+); 1,3,5-triethynylbenzene Traditional Name: 2-diphenylphosphinoethyl(diphenyl)phosphine; (4-ethynylphenyl)amine; ruthenium(2+); 1,3,5-triethynylbenzene Formula: C132H112N2P8Ru2 MolecularWeight: 2176.245168

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1)C#[C-])C#[C-].[C-]#CC1=CC=C(C=C1)N.[C-]#CC1=CC=C(C=C1)N.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Ru+2].[Ru+2]

Isomeric SMILES

C#CC1=CC(=CC(=C1)C#[C-])C#[C-].[C-]#CC1=CC=C(C=C1)N.[C-]#CC1=CC=C(C=C1)N.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Ru+2].[Ru+2]

InChI

InChI=1S/4C26H24P2.C12H4.2C8H6N.2Ru/c4*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-4-10-7-11(5-2)9-12(6-3)8-10;2*1-2-7-3-5-8(9)6-4-7;;/h4*1-20H,21-22H2;1,7-9H;2*3-6H,9H2;;/q;;;;-2;2*-1;2*+2