N1,N7-diphenyl-N1,N7-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-1,7-diamine

Systemtic Name: N1,N7-diphenyl-N1,N7-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-1,7-diamine Openeye Name: N1,N7-diphenyl-N1,N7-bis[4-[(E)-styryl]phenyl]pentacene-1,7-diamine CAS Name: N1,N7-diphenyl-N1,N7-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-1,7-diamine IUPAC Name: 1-N,7-N-diphenyl-1-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]pentacene-1,7-diamine Traditional Name: phenyl-[4-[(E)-styryl]phenyl]-[7-(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(C8=CC=CC=C8C=C7C=C6C=C54)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=CC=CC=C3)C4=CC=CC5=CC6=CC7=C(C8=CC=CC=C8C=C7C=C6C=C54)N(C9=CC=CC=C9)C1=CC=C(C=C1)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C62H44N2/c1-5-16-45(17-6-1)28-30-47-32-36-56(37-33-47)63(54-22-9-3-10-23-54)61-27-15-21-50-40-51-44-60-53(42-52(51)43-59(50)61)41-49-20-13-14-26-58(49)62(60)64(55-24-11-4-12-25-55)57-38-34-48(35-39-57)31-29-46-18-7-2-8-19-46/h1-44H/b30-28+,31-29+