bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+))

C228H270Hf3N18Zr3-15 — CID 158610717

IUPACbis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+))
SMILESCc1cc(C)c([N-]C(C)c2nn(C)cc2C)c(C)c1.Cc1cc(C)c([N-]C(C)c2nn(C)cc2C)c(C)c1.Cc1cc(C)c([N-]Cc2nn(C)c(C)c2C)c(C)c1.Cc1cc(C)c([N-]Cc2nn(C)c(C)c2C)c(C)c1.Cc1cn(C)nc1C(C)[N-]c1c(C(C)C)cccc1C(C)C.Cc1cn(C)nc1C(C)[N-]c1c(C(C)C)cccc1C(C)C.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf].[Hf].[Hf].[Zr+3].[Zr+3].[Zr+3]
InChIInChI=1S/2C19H28N3.4C16H22N3.18C7H7.3Hf.3Zr/c2*1-12(2)16-9-8-10-17(13(3)4)19(16)20-15(6)18-14(5)11-22(7)21-18;2*1-10-7-11(2)16(12(3)8-10)17-9-15-13(4)14(5)19(6)18-15;2*1-10-7-11(2)15(12(3)8-10)17-14(5)16-13(4)9-19(6)18-16;18*1-7-5-3-2-4-6-7;;;;;;/h2*8-13,15H,1-7H3;2*7-8H,9H2,1-6H3;2*7-9,14H,1-6H3;18*2-6H,1H2;;;;;;/q24*-1;;;;3*+3
InChIKeyQWLTYMMPCOOGFV-UHFFFAOYSA-N
MW4071.94 g/mol
LogP62.28
Rot. Bonds22

About bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+))

bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+)) (PubChem CID 158610717) has the molecular formula C228H270Hf3N18Zr3-15 and a molecular weight of 4071.94 g/mol. Its IUPAC name is bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+)).

Molecular Properties

Compound Namebis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+))
PubChem CID158610717
Molecular FormulaC228H270Hf3N18Zr3-15
Molecular Weight4071.94 g/mol
Exact Mass4069.73
IUPAC Namebis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+))
SMILESCc1cc(C)c([N-]C(C)c2nn(C)cc2C)c(C)c1.Cc1cc(C)c([N-]C(C)c2nn(C)cc2C)c(C)c1.Cc1cc(C)c([N-]Cc2nn(C)c(C)c2C)c(C)c1.Cc1cc(C)c([N-]Cc2nn(C)c(C)c2C)c(C)c1.Cc1cn(C)nc1C(C)[N-]c1c(C(C)C)cccc1C(C)C.Cc1cn(C)nc1C(C)[N-]c1c(C(C)C)cccc1C(C)C.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf].[Hf].[Hf].[Zr+3].[Zr+3].[Zr+3]
InChIInChI=1S/2C19H28N3.4C16H22N3.18C7H7.3Hf.3Zr/c2*1-12(2)16-9-8-10-17(13(3)4)19(16)20-15(6)18-14(5)11-22(7)21-18;2*1-10-7-11(2)16(12(3)8-10)17-9-15-13(4)14(5)19(6)18-15;2*1-10-7-11(2)15(12(3)8-10)17-14(5)16-13(4)9-19(6)18-16;18*1-7-5-3-2-4-6-7;;;;;;/h2*8-13,15H,1-7H3;2*7-8H,9H2,1-6H3;2*7-9,14H,1-6H3;18*2-6H,1H2;;;;;;/q24*-1;;;;3*+3
InChIKeyQWLTYMMPCOOGFV-UHFFFAOYSA-N
XLogP62.28
TPSA191.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004071.94
LogP ≤ 562.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+))?
The IUPAC name of bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+)) (CID 158610717) is bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+)).
What is the SMILES notation for bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+))?
The canonical SMILES for bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+)) is Cc1cc(C)c([N-]C(C)c2nn(C)cc2C)c(C)c1.Cc1cc(C)c([N-]C(C)c2nn(C)cc2C)c(C)c1.Cc1cc(C)c([N-]Cc2nn(C)c(C)c2C)c(C)c1.Cc1cc(C)c([N-]Cc2nn(C)c(C)c2C)c(C)c1.Cc1cn(C)nc1C(C)[N-]c1c(C(C)C)cccc1C(C)C.Cc1cn(C)nc1C(C)[N-]c1c(C(C)C)cccc1C(C)C.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf].[Hf].[Hf].[Zr+3].[Zr+3].[Zr+3].
What is the InChIKey of bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+))?
The InChIKey is QWLTYMMPCOOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H28N3.4C16H22N3.18C7H7.3Hf.3Zr/c2*1-12(2)16-9-8-10-17(13(3)4)19(16)20-15(6)18-14(5)11-22(7)21-18;2*1-10-7-11(2)16(12(3)8-10)17-9-15-13(4)14(5)19(6)18-15;2*1-10-7-11(2)15(12(3)8-10)17-14(5)16-13(4)9-19(6)18-16;18*1-7-5-3-2-4-6-7;;;;;;/h2*8-13,15H,1-7H3;2*7-8H,9H2,1-6H3;2*7-9,14H,1-6H3;18*2-6H,1H2;;;;;;/q24*-1;;;;3*+3.
What are the key properties of bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+))?
bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+)) has a molecular weight of 4071.94 g/mol, XLogP of 62.28, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-[2,6-di(propan-2-yl)phenyl]azanide);bis(1-(1,4-dimethylpyrazol-3-yl)ethyl-(2,4,6-trimethylphenyl)azanide);hafnium;methanidylbenzene;bis((2,4,6-trimethylphenyl)-[(1,4,5-trimethylpyrazol-3-yl)methyl]azanide);tris(zirconium(3+)) is sourced from PubChem (CID 158610717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).