N3,N3,N10,N10-tetrakis(6-methyl-1,3-benzoxazol-2-yl)perylene-3,10-diamine

Systemtic Name: N3,N3,N10,N10-tetrakis(6-methyl-1,3-benzoxazol-2-yl)perylene-3,10-diamine Openeye Name: N3,N3,N10,N10-tetrakis(6-methyl-1,3-benzoxazol-2-yl)perylene-3,10-diamine CAS Name: N3,N3,N10,N10-tetrakis(6-methyl-1,3-benzoxazol-2-yl)perylene-3,10-diamine IUPAC Name: 3-N,3-N,10-N,10-N-tetrakis(6-methyl-1,3-benzoxazol-2-yl)perylene-3,10-diamine Traditional Name: [10-[bis(6-methyl-1,3-benzoxazol-2-yl)amino]perylen-3-yl]-bis(6-methyl-1,3-benzoxazol-2-yl)amine Formula: C52H34N6O4 MolecularWeight: 806.86416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)N(C3=CC=C4C5=CC=C(C6=CC=CC(=C65)C7=C4C3=CC=C7)N(C8=NC9=C(O8)C=C(C=C9)C)C1=NC2=C(O1)C=C(C=C2)C)C1=NC2=C(O1)C=C(C=C2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)N(C3=CC=C4C5=CC=C(C6=CC=CC(=C65)C7=C4C3=CC=C7)N(C8=NC9=C(O8)C=C(C=C9)C)C1=NC2=C(O1)C=C(C=C2)C)C1=NC2=C(O1)C=C(C=C2)C

InChI

InChI=1S/C52H34N6O4/c1-27-11-17-37-43(23-27)59-49(53-37)57(50-54-38-18-12-28(2)24-44(38)60-50)41-21-15-33-34-16-22-42(36-10-6-8-32(48(34)36)31-7-5-9-35(41)47(31)33)58(51-55-39-19-13-29(3)25-45(39)61-51)52-56-40-20-14-30(4)26-46(40)62-52/h5-26H,1-4H3