2-methanidylpropane; [2-methyl-2-(2H-pyridin-1-id-6-yl)-3-[2,4,6-tri(propan-2-yl)phenyl]azanidyl-propyl]-[2,4,6-tri(propan-2-yl)phenyl]azanide; zirconium

Systemtic Name: 2-methanidylpropane; [2-methyl-2-(2H-pyridin-1-id-6-yl)-3-[2,4,6-tri(propan-2-yl)phenyl]azanidyl-propyl]-[2,4,6-tri(propan-2-yl)phenyl]azanide; zirconium Openeye Name: 2-methanidylpropane; [2-methyl-2-(2H-pyridin-1-id-6-yl)-3-(2,4,6-triisopropylphenyl)azanidyl-propyl]-(2,4,6-triisopropylphenyl)azanide; zirconium CAS Name: 2-methanidylpropane; [2-methyl-2-(2H-pyridin-1-id-6-yl)-3-[2,4,6-tri(propan-2-yl)phenyl]azanidylpropyl]-[2,4,6-tri(propan-2-yl)phenyl]azanide; zirconium IUPAC Name: 2-methanidylpropane; [2-methyl-2-(2H-pyridin-1-id-6-yl)-3-[2,4,6-tri(propan-2-yl)phenyl]azanidylpropyl]-[2,4,6-tri(propan-2-yl)phenyl]azanide; zirconium Traditional Name: 2-methanidylpropane; [2-methyl-2-(2H-pyridin-1-id-6-yl)-3-(2,4,6-triisopropylphenyl)azanidyl-propyl]-(2,4,6-triisopropylphenyl)azanide; zirconium Formula: C47H76N3Zr-5 MolecularWeight: 774.35044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[CH2-].CC(C)[CH2-].CC(C)C1=CC(=C(C(=C1)C(C)C)[N-]CC(C)(C[N-]C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C3=CC=CC[N-]3)C(C)C.[Zr]

Isomeric SMILES

CC(C)[CH2-].CC(C)[CH2-].CC(C)C1=CC(=C(C(=C1)C(C)C)[N-]CC(C)(C[N-]C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C3=CC=CC[N-]3)C(C)C.[Zr]

InChI

InChI=1S/C39H58N3.2C4H9.Zr/c1-24(2)30-18-32(26(5)6)37(33(19-30)27(7)8)41-22-39(13,36-16-14-15-17-40-36)23-42-38-34(28(9)10)20-31(25(3)4)21-35(38)29(11)12;2*1-4(2)3;/h14-16,18-21,24-29H,17,22-23H2,1-13H3;2*4H,1H2,2-3H3;/q-3;2*-1;