1,4-diphenylpenta-1,2,4-trienylbenzene; ethynylbenzene; iridium(3+); tri(propan-2-yl)phosphane

Systemtic Name: 1,4-diphenylpenta-1,2,4-trienylbenzene; ethynylbenzene; iridium(3+); tri(propan-2-yl)phosphane Openeye Name: 1,4-diphenylpenta-1,2,4-trienylbenzene; ethynylbenzene; iridium(3+); triisopropylphosphane CAS Name: 1,4-diphenylpenta-1,2,4-trienylbenzene; ethynylbenzene; iridium(3+); tri(propan-2-yl)phosphine IUPAC Name: 1,4-diphenylpenta-1,2,4-trienylbenzene; ethynylbenzene; iridium(3+); tri(propan-2-yl)phosphane Traditional Name: 1,4-diphenylpenta-1,2,4-trienylbenzene; ethynylbenzene; iridium(3+); triisopropylphosphine Formula: C57H69IrP2 MolecularWeight: 1008.322282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[CH-]=C(C=C=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3.[C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.[Ir+3]

Isomeric SMILES

CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[CH-]=C(C=C=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3.[C-]#CC1=CC=CC=C1.[C-]#CC1=CC=CC=C1.[Ir+3]

InChI

InChI=1S/C23H17.2C9H21P.2C8H5.Ir/c1-19(20-11-5-2-6-12-20)17-18-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22;2*1-7(2)10(8(3)4)9(5)6;2*1-2-8-6-4-3-5-7-8;/h1-17H;2*7-9H,1-6H3;2*3-7H;/q-1;;;2*-1;+3