[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-di(pyrrol-1-yl)phosphanyloxy-benzene-6-id-1-yl]benzene-5-id-1-yl]oxy-di(pyrrol-1-yl)phosphane; 1,5-diphenylpentan-3-one; palladium(2+)

Systemtic Name: [2,4-ditert-butyl-6-[3,5-ditert-butyl-2-di(pyrrol-1-yl)phosphanyloxy-benzene-6-id-1-yl]benzene-5-id-1-yl]oxy-di(pyrrol-1-yl)phosphane; 1,5-diphenylpentan-3-one; palladium(2+) Openeye Name: [2,4-ditert-butyl-6-[3,5-ditert-butyl-2-di(pyrrol-1-yl)phosphanyloxy-benzene-6-id-1-yl]benzene-5-id-1-yl]oxy-di(pyrrol-1-yl)phosphane; 1,5-diphenylpentan-3-one; palladium(2+) CAS Name: [2-[2-[bis(1-pyrrolyl)phosphinooxy]-3,5-ditert-butyl-1-benzene-6-idyl]-4,6-ditert-butyl-1-benzene-3-idyl]oxy-bis(1-pyrrolyl)phosphine; 1,5-diphenyl-3-pentanone; palladium(2+) IUPAC Name: [2,4-ditert-butyl-6-[3,5-ditert-butyl-2-di(pyrrol-1-yl)phosphanyloxybenzene-6-id-1-yl]benzene-5-id-1-yl]oxy-di(pyrrol-1-yl)phosphane; 1,5-diphenylpentan-3-one; palladium(2+) Traditional Name: [2,4-ditert-butyl-6-[3,5-ditert-butyl-2-di(pyrrol-1-yl)phosphinooxy-benzene-6-id-1-yl]benzene-5-id-1-yl]oxy-di(pyrrol-1-yl)phosphine; 1,5-diphenylpentan-3-one; palladium(2+) Formula: C78H90N4O4P2Pd MolecularWeight: 1315.941122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=[C-]1)C2=[C-]C(=CC(=C2OP(N3C=CC=C3)N4C=CC=C4)C(C)(C)C)C(C)(C)C)OP(N5C=CC=C5)N6C=CC=C6)C(C)(C)C.C1=CC=C(C=C1)CCC(=O)CCC2=CC=CC=C2.C1=CC=C(C=C1)CCC(=O)CCC2=CC=CC=C2.[Pd+2]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=[C-]1)C2=[C-]C(=CC(=C2OP(N3C=CC=C3)N4C=CC=C4)C(C)(C)C)C(C)(C)C)OP(N5C=CC=C5)N6C=CC=C6)C(C)(C)C.C1=CC=C(C=C1)CCC(=O)CCC2=CC=CC=C2.C1=CC=C(C=C1)CCC(=O)CCC2=CC=CC=C2.[Pd+2]

InChI

InChI=1S/C44H54N4O2P2.2C17H18O.Pd/c1-41(2,3)33-29-35(39(37(31-33)43(7,8)9)49-51(45-21-13-14-22-45)46-23-15-16-24-46)36-30-34(42(4,5)6)32-38(44(10,11)12)40(36)50-52(47-25-17-18-26-47)48-27-19-20-28-48;2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h13-28,31-32H,1-12H3;2*1-10H,11-14H2;/q-2;;;+2