zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate

C82H82O6Zn — CID 101328689

About zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate

zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate (PubChem CID 101328689) has the molecular formula C82H82O6Zn and a molecular weight of 1228.94 g/mol. Its IUPAC name is zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate.

Molecular Properties

• Compound Name: zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate
• PubChem CID: 101328689
• Molecular Formula: C82H82O6Zn
• Molecular Weight: 1228.94 g/mol
• Exact Mass: 1226.54
• IUPAC Name: zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate
• SMILES: Cc1cc(C)c(Cc2ccc(Cc3c(C)cc(C)c(Cc4ccc(Cc5cccc(O)c5C(=O)O)cc4)c3C)cc2)c(C)c1.Cc1cc(C)c(Cc2ccc(Cc3c(C)cc(C)c(Cc4ccc(Cc5cccc([O-])c5C(=O)[O-])cc4)c3C)cc2)c(C)c1.[Zn+2]
• InChI: InChI=1S/2C41H42O3.Zn/c2*1-25-18-26(2)36(27(3)19-25)22-32-14-16-34(17-15-32)24-38-29(5)20-28(4)37(30(38)6)23-33-12-10-31(11-13-33)21-35-8-7-9-39(42)40(35)41(43)44;/h2*7-20,42H,21-24H2,1-6H3,(H,43,44);/q;;+2/p-2
• InChIKey: XYUZLFHIQCUHHL-UHFFFAOYSA-L
• XLogP: 16.64
• TPSA: 120.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1228.94
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate?

The IUPAC name of zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate (CID 101328689) is zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate.

What is the SMILES notation for zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate?

The canonical SMILES for zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate is Cc1cc(C)c(Cc2ccc(Cc3c(C)cc(C)c(Cc4ccc(Cc5cccc(O)c5C(=O)O)cc4)c3C)cc2)c(C)c1.Cc1cc(C)c(Cc2ccc(Cc3c(C)cc(C)c(Cc4ccc(Cc5cccc([O-])c5C(=O)[O-])cc4)c3C)cc2)c(C)c1.[Zn+2].

What is the InChIKey of zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate?

The InChIKey is XYUZLFHIQCUHHL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C41H42O3.Zn/c2*1-25-18-26(2)36(27(3)19-25)22-32-14-16-34(17-15-32)24-38-29(5)20-28(4)37(30(38)6)23-33-12-10-31(11-13-33)21-35-8-7-9-39(42)40(35)41(43)44;/h2*7-20,42H,21-24H2,1-6H3,(H,43,44);/q;;+2/p-2.

What are the key properties of zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate?

zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate has a molecular weight of 1228.94 g/mol, XLogP of 16.64, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;2-hydroxy-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoic acid;2-oxido-6-[[4-[[2,4,6-trimethyl-3-[[4-[(2,4,6-trimethylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methyl]benzoate is sourced from PubChem (CID 101328689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).