N6,N13-diphenyl-N6,N13-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-6,13-diamine

Systemtic Name: N6,N13-diphenyl-N6,N13-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-6,13-diamine Openeye Name: N6,N13-diphenyl-N6,N13-bis[4-[(E)-styryl]phenyl]pentacene-6,13-diamine CAS Name: N6,N13-diphenyl-N6,N13-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-6,13-diamine IUPAC Name: 6-N,13-N-diphenyl-6-N,13-N-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-6,13-diamine Traditional Name: phenyl-[4-[(E)-styryl]phenyl]-[13-(N-[4-[(E)-styryl]phenyl]anilino)pentacen-6-yl]amine Formula: C62H44N2 MolecularWeight: 817.02616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C3=CC=CC=C3)C4=C5C=C6C=CC=CC6=CC5=C(C7=CC8=CC=CC=C8C=C74)N(C9=CC=CC=C9)C1=CC=C(C=C1)C=CC1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C3=C4C(=C(C5=CC6=CC=CC=C6C=C35)N(C7=CC=C(C=C7)/C=C/C8=CC=CC=C8)C9=CC=CC=C9)C=C1C(=C4)C=CC=C1)C1=CC=CC=C1

InChI

InChI=1S/C62H44N2/c1-5-17-45(18-6-1)29-31-47-33-37-55(38-34-47)63(53-25-9-3-10-26-53)61-57-41-49-21-13-15-23-51(49)43-59(57)62(60-44-52-24-16-14-22-50(52)42-58(60)61)64(54-27-11-4-12-28-54)56-39-35-48(36-40-56)32-30-46-19-7-2-8-20-46/h1-44H/b31-29+,32-30+