tris[5-methyl-3-(4-propan-2-ylphenyl)pyrazol-1-yl]boron(1-)

Systemtic Name: tris[5-methyl-3-(4-propan-2-ylphenyl)pyrazol-1-yl]boron(1-) Openeye Name: tris[3-(4-isopropylphenyl)-5-methyl-pyrazol-1-yl]boron(1-) CAS Name: tris[5-methyl-3-(4-propan-2-ylphenyl)-1-pyrazolyl]boron(1-) IUPAC Name: tris[5-methyl-3-(4-propan-2-ylphenyl)pyrazol-1-yl]boron(1-) Traditional Name: tris(5-methyl-3-p-cumenyl-pyrazol-1-yl)boron(1-) Formula: C39H45BN6- MolecularWeight: 608.6258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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