tris[5-methyl-3-(2-phenylpropan-2-yl)pyrazol-1-yl]boron(1-)

Systemtic Name: tris[5-methyl-3-(2-phenylpropan-2-yl)pyrazol-1-yl]boron(1-) Openeye Name: tris[5-methyl-3-(1-methyl-1-phenyl-ethyl)pyrazol-1-yl]boron(1-) CAS Name: tris[5-methyl-3-(2-phenylpropan-2-yl)-1-pyrazolyl]boron(1-) IUPAC Name: tris[5-methyl-3-(2-phenylpropan-2-yl)pyrazol-1-yl]boron(1-) Traditional Name: tris(3-cumyl-5-methyl-pyrazol-1-yl)boron(1-) Formula: C39H45BN6- MolecularWeight: 608.6258

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C(=CC(=N1)C(C)(C)C2=CC=CC=C2)C)(N3C(=CC(=N3)C(C)(C)C4=CC=CC=C4)C)N5C(=CC(=N5)C(C)(C)C6=CC=CC=C6)C

Isomeric SMILES

[B-](N1C(=CC(=N1)C(C)(C)C2=CC=CC=C2)C)(N3C(=CC(=N3)C(C)(C)C4=CC=CC=C4)C)N5C(=CC(=N5)C(C)(C)C6=CC=CC=C6)C

InChI

InChI=1S/C39H45BN6/c1-28-25-34(37(4,5)31-19-13-10-14-20-31)41-44(28)40(45-29(2)26-35(42-45)38(6,7)32-21-15-11-16-22-32)46-30(3)27-36(43-46)39(8,9)33-23-17-12-18-24-33/h10-27H,1-9H3/q-1