1-[(3R,4R)-3,4-bis(diphenylphosphanyl)pyrrolidin-1-yl]-4-pyren-1-yl-butan-1-one

Systemtic Name: 1-[(3R,4R)-3,4-bis(diphenylphosphanyl)pyrrolidin-1-yl]-4-pyren-1-yl-butan-1-one Openeye Name: 1-[(3R,4R)-3,4-bis(diphenylphosphanyl)pyrrolidin-1-yl]-4-pyren-1-yl-butan-1-one CAS Name: 1-[(3R,4R)-3,4-bis(diphenylphosphino)-1-pyrrolidinyl]-4-(1-pyrenyl)-1-butanone IUPAC Name: 1-[(3R,4R)-3,4-bis(diphenylphosphanyl)pyrrolidin-1-yl]-4-pyren-1-ylbutan-1-one Traditional Name: 1-[(3R,4R)-3,4-bis(diphenylphosphino)pyrrolidino]-4-pyren-1-yl-butan-1-one Formula: C48H41NOP2 MolecularWeight: 709.792762

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)P(C6=CC=CC=C6)C7=CC=CC=C7)P(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1[C@H]([C@@H](CN1C(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)P(C6=CC=CC=C6)C7=CC=CC=C7)P(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C48H41NOP2/c50-46(26-14-15-35-27-28-38-30-29-36-16-13-17-37-31-32-43(35)48(38)47(36)37)49-33-44(51(39-18-5-1-6-19-39)40-20-7-2-8-21-40)45(34-49)52(41-22-9-3-10-23-41)42-24-11-4-12-25-42/h1-13,16-25,27-32,44-45H,14-15,26,33-34H2/t44-,45-/m1/s1