2-hexyl-1-[1-(2-hexylphenanthren-1-yl)-3,3-dimethyl-pentyl]phenanthrene

Systemtic Name: 2-hexyl-1-[1-(2-hexylphenanthren-1-yl)-3,3-dimethyl-pentyl]phenanthrene Openeye Name: 2-hexyl-1-[1-(2-hexyl-1-phenanthryl)-3,3-dimethyl-pentyl]phenanthrene CAS Name: 2-hexyl-1-[1-(2-hexyl-1-phenanthrenyl)-3,3-dimethylpentyl]phenanthrene IUPAC Name: 2-hexyl-1-[1-(2-hexylphenanthren-1-yl)-3,3-dimethylpentyl]phenanthrene Traditional Name: 2-hexyl-1-[1-(2-hexyl-1-phenanthryl)-3,3-dimethyl-pentyl]phenanthrene Formula: C47H56 MolecularWeight: 620.94754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C1)C3=CC=CC=C3C=C2)C(CC(C)(C)CC)C4=C(C=CC5=C4C=CC6=CC=CC=C65)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C1)C3=CC=CC=C3C=C2)C(CC(C)(C)CC)C4=C(C=CC5=C4C=CC6=CC=CC=C65)CCCCCC

InChI

InChI=1S/C47H56/c1-6-9-11-13-21-36-27-29-40-38-23-17-15-19-34(38)25-31-42(40)45(36)44(33-47(4,5)8-3)46-37(22-14-12-10-7-2)28-30-41-39-24-18-16-20-35(39)26-32-43(41)46/h15-20,23-32,44H,6-14,21-22,33H2,1-5H3