8-[9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]octanenitrile

Systemtic Name: 8-[9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]octanenitrile Openeye Name: 8-[9,10-bis[4-(2,2-diphenylvinyl)phenyl]-2-anthryl]octanenitrile CAS Name: 8-[9,10-bis[4-(2,2-diphenylethenyl)phenyl]-2-anthracenyl]octanenitrile IUPAC Name: 8-[9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]octanenitrile Traditional Name: 8-[9,10-bis[4-(2,2-diphenylvinyl)phenyl]-2-anthryl]caprylonitrile Formula: C62H51N MolecularWeight: 810.07504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)C3=C4C=CC(=CC4=C(C5=CC=CC=C53)C6=CC=C(C=C6)C=C(C7=CC=CC=C7)C8=CC=CC=C8)CCCCCCCC#N)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)C3=C4C=CC(=CC4=C(C5=CC=CC=C53)C6=CC=C(C=C6)C=C(C7=CC=CC=C7)C8=CC=CC=C8)CCCCCCCC#N)C9=CC=CC=C9

InChI

InChI=1S/C62H51N/c63-42-20-4-2-1-3-9-21-46-36-41-57-60(45-46)62(54-39-34-48(35-40-54)44-59(51-26-14-7-15-27-51)52-28-16-8-17-29-52)56-31-19-18-30-55(56)61(57)53-37-32-47(33-38-53)43-58(49-22-10-5-11-23-49)50-24-12-6-13-25-50/h5-8,10-19,22-41,43-45H,1-4,9,20-21H2