3-diphenylphosphanylpropyl(diphenyl)phosphane; 4,5-diphenyl-1,2,4-triazole-3-thiolate; platinum(2+)

Systemtic Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; 4,5-diphenyl-1,2,4-triazole-3-thiolate; platinum(2+) Openeye Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; 4,5-diphenyl-1,2,4-triazole-3-thiolate; platinum(2+) CAS Name: 3-diphenylphosphinopropyl(diphenyl)phosphine; 4,5-diphenyl-1,2,4-triazole-3-thiolate; platinum(2+) IUPAC Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; 4,5-diphenyl-1,2,4-triazole-3-thiolate; platinum(2+) Traditional Name: 3-diphenylphosphinopropyl(diphenyl)phosphine; 4,5-diphenyl-1,2,4-triazole-3-thiolate; platinum(2+) Formula: C55H46N6P2PtS2 MolecularWeight: 1112.149462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-].C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-].C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pt+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-].C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-].C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pt+2]

InChI

InChI=1S/C27H26P2.2C14H11N3S.Pt/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*18-14-16-15-13(11-7-3-1-4-8-11)17(14)12-9-5-2-6-10-12;/h1-12,14-21H,13,22-23H2;2*1-10H,(H,16,18);/q;;;+2/p-2