1-[3,5,6-tris(benzotriazol-1-yl)-1,4-diphenyl-piperazin-2-yl]benzotriazole

Systemtic Name: 1-[3,5,6-tris(benzotriazol-1-yl)-1,4-diphenyl-piperazin-2-yl]benzotriazole Openeye Name: 1-[3,5,6-tris(benzotriazol-1-yl)-1,4-diphenyl-piperazin-2-yl]benzotriazole CAS Name: 1-[3,5,6-tris(1-benzotriazolyl)-1,4-diphenyl-2-piperazinyl]benzotriazole IUPAC Name: 1-[3,5,6-tris(benzotriazol-1-yl)-1,4-diphenylpiperazin-2-yl]benzotriazole Traditional Name: 1-[3,5,6-tris(benzotriazol-1-yl)-1,4-diphenyl-piperazin-2-yl]benzotriazole Formula: C40H30N14 MolecularWeight: 706.76

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(C(N(C(C2N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5)C7=CC=CC=C7)N8C9=CC=CC=C9N=N8)N1C2=CC=CC=C2N=N1

Isomeric SMILES

C1=CC=C(C=C1)N2C(C(N(C(C2N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5)C7=CC=CC=C7)N8C9=CC=CC=C9N=N8)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C40H30N14/c1-3-15-27(16-4-1)49-37(51-33-23-11-7-19-29(33)41-45-51)39(53-35-25-13-9-21-31(35)43-47-53)50(28-17-5-2-6-18-28)40(54-36-26-14-10-22-32(36)44-48-54)38(49)52-34-24-12-8-20-30(34)42-46-52/h1-26,37-40H