1,2,2,3-tetrakis(diphenylmethyl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,2,2,3-tetrakis(diphenylmethyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1,2,2,3-tetrabenzhydryl-1,4,7,10-tetrazacyclododecane CAS Name: 1,2,2,3-tetrakis(diphenylmethyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,2,2,3-tetrabenzhydryl-1,4,7,10-tetrazacyclododecane Traditional Name: 1,2,2,3-tetrabenzhydryl-1,4,7,10-tetrazacyclododecane Formula: C60H60N4 MolecularWeight: 837.1452

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C(C(NCCN1)C(C2=CC=CC=C2)C3=CC=CC=C3)(C(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CC=CC=C6)C7=CC=CC=C7)C(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1CNCCN(C(C(NCCN1)C(C2=CC=CC=C2)C3=CC=CC=C3)(C(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CC=CC=C6)C7=CC=CC=C7)C(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C60H60N4/c1-9-25-47(26-10-1)55(48-27-11-2-12-28-48)59-60(56(49-29-13-3-14-30-49)50-31-15-4-16-32-50,57(51-33-17-5-18-34-51)52-35-19-6-20-36-52)64(46-45-62-42-41-61-43-44-63-59)58(53-37-21-7-22-38-53)54-39-23-8-24-40-54/h1-40,55-59,61-63H,41-46H2