tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+)

C45H58HfN6O — CID 58637093

About tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+)

tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+) (PubChem CID 58637093) has the molecular formula C45H58HfN6O and a molecular weight of 877.49 g/mol. Its IUPAC name is tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+).

Molecular Properties

• Compound Name: tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+)
• PubChem CID: 58637093
• Molecular Formula: C45H58HfN6O
• Molecular Weight: 877.49 g/mol
• Exact Mass: 878.41
• IUPAC Name: tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+)
• SMILES: CCc1oc2ccccc2c1-c1cn(C)c(C([N-]c2c(C(C)C)cccc2C(C)C)c2ccccc2-c2ccccc2)n1.C[N-]C.C[N-]C.C[N-]C.[Hf+4]
• InChI: InChI=1S/C39H40N3O.3C2H6N.Hf/c1-7-34-36(32-20-13-14-23-35(32)43-34)33-24-42(6)39(40-33)38(31-19-12-11-18-30(31)27-16-9-8-10-17-27)41-37-28(25(2)3)21-15-22-29(37)26(4)5;3*1-3-2;/h8-26,38H,7H2,1-6H3;3*1-2H3;/q4*-1;+4
• InChIKey: SIWJSQHATVKUIH-UHFFFAOYSA-N
• XLogP: 12.96
• TPSA: 87.36 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.49
LogP ≤ 5	12.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+)?

The IUPAC name of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+) (CID 58637093) is tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+).

What is the SMILES notation for tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+)?

The canonical SMILES for tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+) is CCc1oc2ccccc2c1-c1cn(C)c(C([N-]c2c(C(C)C)cccc2C(C)C)c2ccccc2-c2ccccc2)n1.C[N-]C.C[N-]C.C[N-]C.[Hf+4].

What is the InChIKey of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+)?

The InChIKey is SIWJSQHATVKUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40N3O.3C2H6N.Hf/c1-7-34-36(32-20-13-14-23-35(32)43-34)33-24-42(6)39(40-33)38(31-19-12-11-18-30(31)27-16-9-8-10-17-27)41-37-28(25(2)3)21-15-22-29(37)26(4)5;3*1-3-2;/h8-26,38H,7H2,1-6H3;3*1-2H3;/q4*-1;+4.

What are the key properties of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+)?

tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+) has a molecular weight of 877.49 g/mol, XLogP of 12.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+) is sourced from PubChem (CID 58637093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).