2,5-bis[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methyl-pyrrole; 2-phenylethylbenzene; titanium(2+)

Systemtic Name: 2,5-bis[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methyl-pyrrole; 2-phenylethylbenzene; titanium(2+) Openeye Name: 2,5-bis[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methyl-pyrrole; 2-phenylethylbenzene; titanium(2+) CAS Name: 2,5-bis[diphenyl(2-pyrrol-1-idyl)methyl]-1-methylpyrrole; 2-phenylethylbenzene; titanium(2+) IUPAC Name: 2,5-bis[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole; 2-phenylethylbenzene; titanium(2+) Traditional Name: 2,5-bis[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methyl-pyrrole; 2-phenylethylbenzene; titanium(2+) Formula: C53H43N3Ti MolecularWeight: 769.79562

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Descriptors Computed from Structure

Canonical SMILES:

CN1[C]([CH][CH][C]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C[N-]4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C[N-]7.C1=CC=C(C=C1)[CH][CH]C2=CC=CC=C2.[Ti+2]

Isomeric SMILES

CN1[C]([CH][CH][C]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C[N-]4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C[N-]7.C1=CC=C(C=C1)[CH][CH]C2=CC=CC=C2.[Ti+2]

InChI

InChI=1S/C39H31N3.C14H12.Ti/c1-42-36(38(34-24-14-28-40-34,30-16-6-2-7-17-30)31-18-8-3-9-19-31)26-27-37(42)39(35-25-15-29-41-35,32-20-10-4-11-21-32)33-22-12-5-13-23-33;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;/h2-29H,1H3;1-12H;/q-2;;+2