4,9-dimethyl-N3,N10-diphenyl-N3,N10-bis[4-[(E)-2-phenylethenyl]phenyl]perylene-3,10-diamine

Systemtic Name: 4,9-dimethyl-N3,N10-diphenyl-N3,N10-bis[4-[(E)-2-phenylethenyl]phenyl]perylene-3,10-diamine Openeye Name: 4,9-dimethyl-N3,N10-diphenyl-N3,N10-bis[4-[(E)-styryl]phenyl]perylene-3,10-diamine CAS Name: 4,9-dimethyl-N3,N10-diphenyl-N3,N10-bis[4-[(E)-2-phenylethenyl]phenyl]perylene-3,10-diamine IUPAC Name: 4,9-dimethyl-3-N,10-N-diphenyl-3-N,10-N-bis[4-[(E)-2-phenylethenyl]phenyl]perylene-3,10-diamine Traditional Name: [4,9-dimethyl-10-(N-[4-[(E)-styryl]phenyl]anilino)perylen-3-yl]-phenyl-[4-[(E)-styryl]phenyl]amine Formula: C62H46N2 MolecularWeight: 819.04204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C3C2=C(C=C1)C4=C5C3=CC=C(C5=C(C=C4)C)N(C6=CC=CC=C6)C7=CC=C(C=C7)C=CC8=CC=CC=C8)N(C9=CC=CC=C9)C1=CC=C(C=C1)C=CC1=CC=CC=C1

Isomeric SMILES

CC1=C2C3=C(C4=C5C(=C(C=C4)C)C(=CC=C5C3=CC=C2N(C6=CC=C(C=C6)/C=C/C7=CC=CC=C7)C8=CC=CC=C8)N(C9=CC=C(C=C9)/C=C/C2=CC=CC=C2)C2=CC=CC=C2)C=C1

InChI

InChI=1S/C62H46N2/c1-43-23-37-53-54-38-24-44(2)60-58(64(50-21-13-6-14-22-50)52-35-31-48(32-36-52)28-26-46-17-9-4-10-18-46)42-40-56(62(54)60)55-39-41-57(59(43)61(53)55)63(49-19-11-5-12-20-49)51-33-29-47(30-34-51)27-25-45-15-7-3-8-16-45/h3-42H,1-2H3/b27-25+,28-26+