[(10bR,10cS)-7-tert-butyl-10b,10c-dimethyl-4,9-diphenyl-pyren-2-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(10bR,10cS)-7-tert-butyl-10b,10c-dimethyl-4,9-diphenyl-pyren-2-yl]-naphthalen-1-yl-methanone Openeye Name: [(10bR,10cS)-7-tert-butyl-10b,10c-dimethyl-4,9-diphenyl-pyren-2-yl]-(1-naphthyl)methanone CAS Name: [(10bR,10cS)-7-tert-butyl-10b,10c-dimethyl-4,9-diphenyl-2-pyrenyl]-(1-naphthalenyl)methanone IUPAC Name: [(10bR,10cS)-7-tert-butyl-10b,10c-dimethyl-4,9-diphenylpyren-2-yl]-naphthalen-1-ylmethanone Traditional Name: [(10bR,10cS)-7-tert-butyl-10b,10c-dimethyl-4,9-diphenyl-pyren-2-yl]-(1-naphthyl)methanone Formula: C45H38O MolecularWeight: 594.78262

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC(=C4C1(C(=CC(=C4)C(=O)C5=CC=CC6=CC=CC=C65)C=C(C2=CC(=C3)C(C)(C)C)C7=CC=CC=C7)C)C8=CC=CC=C8

Isomeric SMILES

C[C@@]12C3=CC(=C4[C@]1(C(=CC(=C4)C(=O)C5=CC=CC6=CC=CC=C65)C=C(C2=CC(=C3)C(C)(C)C)C7=CC=CC=C7)C)C8=CC=CC=C8

InChI

InChI=1S/C45H38O/c1-43(2,3)33-25-35-27-38(30-15-8-6-9-16-30)40-24-32(42(46)37-22-14-20-29-19-12-13-21-36(29)37)23-34-26-39(31-17-10-7-11-18-31)41(28-33)45(35,5)44(34,40)4/h6-28H,1-5H3/t44-,45+/m1/s1