N1,N8-diphenyl-N1,N8-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-1,8-diamine

Systemtic Name: N1,N8-diphenyl-N1,N8-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-1,8-diamine Openeye Name: N1,N8-diphenyl-N1,N8-bis[4-[(E)-styryl]phenyl]pentacene-1,8-diamine CAS Name: N1,N8-diphenyl-N1,N8-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-1,8-diamine IUPAC Name: 1-N,8-N-diphenyl-1-N,8-N-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-1,8-diamine Traditional Name: phenyl-[4-[(E)-styryl]phenyl]-[8-(N-[4-[(E)-styryl]phenyl]anilino)pentacen-1-yl]amine Formula: C62H44N2 MolecularWeight: 817.02616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=CC5=CC6=CC7=C(C=C8C=CC=C(C8=C7)N(C9=CC=CC=C9)C1=CC=C(C=C1)C=CC1=CC=CC=C1)C=C6C=C54

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=CC5=CC6=CC7=C(C=C8C=CC=C(C8=C7)N(C9=CC=CC=C9)C1=CC=C(C=C1)/C=C/C1=CC=CC=C1)C=C6C=C54

InChI

InChI=1S/C62H44N2/c1-5-15-45(16-6-1)27-29-47-31-35-57(36-32-47)63(55-21-9-3-10-22-55)61-25-13-19-49-39-51-42-54-44-60-50(40-52(54)41-53(51)43-59(49)61)20-14-26-62(60)64(56-23-11-4-12-24-56)58-37-33-48(34-38-58)30-28-46-17-7-2-8-18-46/h1-44H/b29-27+,30-28+