zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate

C62H68N4O4Zn — CID 59480197

About zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate

zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate (PubChem CID 59480197) has the molecular formula C62H68N4O4Zn and a molecular weight of 998.64 g/mol. Its IUPAC name is zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate.

Molecular Properties

• Compound Name: zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate
• PubChem CID: 59480197
• Molecular Formula: C62H68N4O4Zn
• Molecular Weight: 998.64 g/mol
• Exact Mass: 996.45
• IUPAC Name: zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate
• SMILES: CC1=N/C(=C\c2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)C2C=CC=CC12.CC1=N/C(=C\c2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)c2ccccc21.[Zn+2]
• InChI: InChI=1S/C31H36N2O2.C31H34N2O2.Zn/c2*1-18-15-19(2)30(20(3)16-18)35-31(34)28-22(5)33-27(29(28)23-11-7-6-8-12-23)17-26-25-14-10-9-13-24(25)21(4)32-26;/h6-14,17-20,24-25,30H,15-16H2,1-5H3,(H,33,34);6-14,17-20,30H,15-16H2,1-5H3,(H,32,33,34);/q;;+2/p-2/b26-17-
• InChIKey: MYCPIFASXBRCNS-TYIWTYJLSA-L
• XLogP: 14.19
• TPSA: 105.52 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	998.64
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate?

The IUPAC name of zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate (CID 59480197) is zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate.

What is the SMILES notation for zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate?

The canonical SMILES for zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate is CC1=N/C(=C\c2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)C2C=CC=CC12.CC1=N/C(=C\c2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)c2ccccc21.[Zn+2].

What is the InChIKey of zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate?

The InChIKey is MYCPIFASXBRCNS-TYIWTYJLSA-L. The full InChI is InChI=1S/C31H36N2O2.C31H34N2O2.Zn/c2*1-18-15-19(2)30(20(3)16-18)35-31(34)28-22(5)33-27(29(28)23-11-7-6-8-12-23)17-26-25-14-10-9-13-24(25)21(4)32-26;/h6-14,17-20,24-25,30H,15-16H2,1-5H3,(H,33,34);6-14,17-20,30H,15-16H2,1-5H3,(H,32,33,34);/q;;+2/p-2/b26-17-;;.

What are the key properties of zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate?

zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate has a molecular weight of 998.64 g/mol, XLogP of 14.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methyl-3a,7a-dihydroisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(3-methylisoindol-1-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate is sourced from PubChem (CID 59480197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).