1-(2,4,6-trimethyl-3-phenanthren-1-yl-5-phenanthren-9-yl-phenyl)phenanthrene

Systemtic Name: 1-(2,4,6-trimethyl-3-phenanthren-1-yl-5-phenanthren-9-yl-phenyl)phenanthrene Openeye Name: 1-[2,4,6-trimethyl-3-(1-phenanthryl)-5-(9-phenanthryl)phenyl]phenanthrene CAS Name: 1-[2,4,6-trimethyl-3-(1-phenanthrenyl)-5-(9-phenanthrenyl)phenyl]phenanthrene IUPAC Name: 1-(2,4,6-trimethyl-3-phenanthren-1-yl-5-phenanthren-9-ylphenyl)phenanthrene Traditional Name: 1-[2,4,6-trimethyl-3-(1-phenanthryl)-5-(9-phenanthryl)phenyl]phenanthrene Formula: C51H36 MolecularWeight: 648.83154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C2=CC=CC3=C2C=CC4=CC=CC=C43)C)C5=CC6=CC=CC=C6C7=CC=CC=C75)C)C8=CC=CC9=C8C=CC1=CC=CC=C19

Isomeric SMILES

CC1=C(C(=C(C(=C1C2=CC=CC3=C2C=CC4=CC=CC=C43)C)C5=CC6=CC=CC=C6C7=CC=CC=C75)C)C8=CC=CC9=C8C=CC1=CC=CC=C19

InChI

InChI=1S/C51H36/c1-31-49(46-24-12-22-41-37-17-7-4-14-34(37)26-28-44(41)46)32(2)51(48-30-36-16-6-9-19-39(36)40-20-10-11-21-43(40)48)33(3)50(31)47-25-13-23-42-38-18-8-5-15-35(38)27-29-45(42)47/h4-30H,1-3H3