3-[tri(phenanthren-3-yl)methyl]phenanthrene

Systemtic Name: 3-[tri(phenanthren-3-yl)methyl]phenanthrene Openeye Name: 3-[tris(3-phenanthryl)methyl]phenanthrene CAS Name: 3-[tris(3-phenanthrenyl)methyl]phenanthrene IUPAC Name: 3-[tri(phenanthren-3-yl)methyl]phenanthrene Traditional Name: 3-[tris(3-phenanthryl)methyl]phenanthrene Formula: C57H36 MolecularWeight: 720.89574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)C(C4=CC5=C(C=CC6=CC=CC=C65)C=C4)(C7=CC8=C(C=CC9=CC=CC=C98)C=C7)C1=CC2=C(C=CC3=CC=CC=C32)C=C1

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)C(C4=CC5=C(C=CC6=CC=CC=C65)C=C4)(C7=CC8=C(C=CC9=CC=CC=C98)C=C7)C1=CC2=C(C=CC3=CC=CC=C32)C=C1

InChI

InChI=1S/C57H36/c1-5-13-49-37(9-1)17-21-41-25-29-45(33-53(41)49)57(46-30-26-42-22-18-38-10-2-6-14-50(38)54(42)34-46,47-31-27-43-23-19-39-11-3-7-15-51(39)55(43)35-47)48-32-28-44-24-20-40-12-4-8-16-52(40)56(44)36-48/h1-36H