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

C46H65HfN5O — CID 58933081

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

bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-4H-1-benzofuran-4-id-3-yl)-1-methylimidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium(4+) (PubChem CID 58933081) has the molecular formula C46H65HfN5O and a molecular weight of 882.55 g/mol. Its IUPAC name is bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-4H-1-benzofuran-4-id-3-yl)-1-methylimidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium(4+).

Molecular Properties

• Compound Name: bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-4H-1-benzofuran-4-id-3-yl)-1-methylimidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium(4+)
• PubChem CID: 58933081
• Molecular Formula: C46H65HfN5O
• Molecular Weight: 882.55 g/mol
• Exact Mass: 883.47
• IUPAC Name: bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-4H-1-benzofuran-4-id-3-yl)-1-methylimidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium(4+)
• SMILES: CCc1oc2ccc[c-]c2c1-c1cn(C)c(C([N-]c2c(C(C)C)cccc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1.C[N-]C.C[N-]C.[Hf+4]
• InChI: InChI=1S/C42H53N3O.2C2H6N.Hf/c1-13-36-39(32-17-14-15-20-37(32)46-36)35-23-45(12)42(43-35)41(44-40-30(25(4)5)18-16-19-31(40)26(6)7)38-33(27(8)9)21-29(24(2)3)22-34(38)28(10)11;2*1-3-2;/h14-16,18-28,41H,13H2,1-12H3;2*1-2H3;/q-2;2*-1;+4
• InChIKey: HJKDBDUNXWJXAR-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 73.26 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.55
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-4H-1-benzofuran-4-id-3-yl)-1-methylimidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium(4+) (CID 58933081) is bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-4H-1-benzofuran-4-id-3-yl)-1-methylimidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium(4+).

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

The canonical SMILES for bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-4H-1-benzofuran-4-id-3-yl)-1-methylimidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium(4+) is CCc1oc2ccc[c-]c2c1-c1cn(C)c(C([N-]c2c(C(C)C)cccc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1.C[N-]C.C[N-]C.[Hf+4].

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

The InChIKey is HJKDBDUNXWJXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H53N3O.2C2H6N.Hf/c1-13-36-39(32-17-14-15-20-37(32)46-36)35-23-45(12)42(43-35)41(44-40-30(25(4)5)18-16-19-31(40)26(6)7)38-33(27(8)9)21-29(24(2)3)22-34(38)28(10)11;2*1-3-2;/h14-16,18-28,41H,13H2,1-12H3;2*1-2H3;/q-2;2*-1;+4.

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

bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-4H-1-benzofuran-4-id-3-yl)-1-methylimidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium(4+) has a molecular weight of 882.55 g/mol, XLogP of 13.84, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-4H-1-benzofuran-4-id-3-yl)-1-methylimidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium(4+) is sourced from PubChem (CID 58933081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).