9-[4-[3,5-bis(2,5-dimethyl-4-phenanthren-9-yl-phenyl)phenyl]-2,5-dimethyl-phenyl]phenanthrene

Systemtic Name: 9-[4-[3,5-bis(2,5-dimethyl-4-phenanthren-9-yl-phenyl)phenyl]-2,5-dimethyl-phenyl]phenanthrene Openeye Name: 9-[4-[3,5-bis[2,5-dimethyl-4-(9-phenanthryl)phenyl]phenyl]-2,5-dimethyl-phenyl]phenanthrene CAS Name: 9-[4-[3,5-bis[2,5-dimethyl-4-(9-phenanthrenyl)phenyl]phenyl]-2,5-dimethylphenyl]phenanthrene IUPAC Name: 9-[4-[3,5-bis(2,5-dimethyl-4-phenanthren-9-ylphenyl)phenyl]-2,5-dimethylphenyl]phenanthrene Traditional Name: 9-[4-[3,5-bis[2,5-dimethyl-4-(9-phenanthryl)phenyl]phenyl]-2,5-dimethyl-phenyl]phenanthrene Formula: C72H54 MolecularWeight: 919.19916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC3=CC=CC=C3C4=CC=CC=C42)C)C5=CC(=CC(=C5)C6=C(C=C(C(=C6)C)C7=CC8=CC=CC=C8C9=CC=CC=C97)C)C1=C(C=C(C(=C1)C)C1=CC2=CC=CC=C2C2=CC=CC=C21)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC3=CC=CC=C3C4=CC=CC=C42)C)C5=CC(=CC(=C5)C6=C(C=C(C(=C6)C)C7=CC8=CC=CC=C8C9=CC=CC=C97)C)C1=C(C=C(C(=C1)C)C1=CC2=CC=CC=C2C2=CC=CC=C21)C

InChI

InChI=1S/C72H54/c1-43-34-67(70-40-49-19-7-10-22-55(49)58-25-13-16-28-61(58)70)46(4)31-64(43)52-37-53(65-32-47(5)68(35-44(65)2)71-41-50-20-8-11-23-56(50)59-26-14-17-29-62(59)71)39-54(38-52)66-33-48(6)69(36-45(66)3)72-42-51-21-9-12-24-57(51)60-27-15-18-30-63(60)72/h7-42H,1-6H3