N-phenyl-N-(2-phenylpropan-2-yl)aniline; propane; titanium(4+)

Systemtic Name: N-phenyl-N-(2-phenylpropan-2-yl)aniline; propane; titanium(4+) Openeye Name: N-(1-methyl-1-phenyl-ethyl)-N-phenyl-aniline; propane; titanium(4+) CAS Name: N-phenyl-N-(2-phenylpropan-2-yl)aniline; propane; titanium(4+) IUPAC Name: N-phenyl-N-(2-phenylpropan-2-yl)aniline; propane; titanium(4+) Traditional Name: cumyl(diphenyl)amine; propane; titanium(4+) Formula: C33H49NTi MolecularWeight: 507.61586

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.CC(C)(C1=CC=CC=C1)N(C2=CC=CC=C2)C3=CC=CC=C3.[Ti+4]

Isomeric SMILES

C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.CC(C)(C1=CC=CC=C1)N(C2=CC=CC=C2)C3=CC=CC=C3.[Ti+4]

InChI

InChI=1S/C21H21N.4C3H7.Ti/c1-21(2,18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)20-16-10-5-11-17-20;4*1-3-2;/h3-17H,1-2H3;4*3H,1-2H3;/q;4*-1;+4