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

C47H69HfN5OS-4 — CID 140503199

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

tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1,3-thiazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium (PubChem CID 140503199) has the molecular formula C47H69HfN5OS-4 and a molecular weight of 930.66 g/mol. Its IUPAC name is tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1,3-thiazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium.

Molecular Properties

• Compound Name: tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1,3-thiazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium
• PubChem CID: 140503199
• Molecular Formula: C47H69HfN5OS-4
• Molecular Weight: 930.66 g/mol
• Exact Mass: 931.47
• IUPAC Name: tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1,3-thiazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium
• SMILES: CCc1oc2ccccc2c1-c1csc(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.C[N-]C.[Hf]
• InChI: InChI=1S/C41H51N2OS.3C2H6N.Hf/c1-12-35-38(31-16-13-14-19-36(31)44-35)34-22-45-41(42-34)40(43-39-29(24(4)5)17-15-18-30(39)25(6)7)37-32(26(8)9)20-28(23(2)3)21-33(37)27(10)11;3*1-3-2;/h13-27,40H,12H2,1-11H3;3*1-2H3;/q4*-1
• InChIKey: XSZRMAPHEXHVMS-UHFFFAOYSA-N
• XLogP: 15.39
• TPSA: 82.43 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.66
LogP ≤ 5	15.39
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)-1,3-thiazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium?

The IUPAC name of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1,3-thiazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium (CID 140503199) is tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1,3-thiazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium.

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

The canonical SMILES for tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1,3-thiazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium is CCc1oc2ccccc2c1-c1csc(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.C[N-]C.[Hf].

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

The InChIKey is XSZRMAPHEXHVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H51N2OS.3C2H6N.Hf/c1-12-35-38(31-16-13-14-19-36(31)44-35)34-22-45-41(42-34)40(43-39-29(24(4)5)17-15-18-30(39)25(6)7)37-32(26(8)9)20-28(23(2)3)21-33(37)27(10)11;3*1-3-2;/h13-27,40H,12H2,1-11H3;3*1-2H3;/q4*-1;.

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

tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1,3-thiazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium has a molecular weight of 930.66 g/mol, XLogP of 15.39, 11 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)-1,3-thiazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium is sourced from PubChem (CID 140503199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).