zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methyl-4a,7a-dihydropyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methylpyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate

C60H66N6O4Zn — CID 59480094

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

zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methyl-4a,7a-dihydropyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methylpyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate (PubChem CID 59480094) has the molecular formula C60H66N6O4Zn and a molecular weight of 1000.62 g/mol. Its IUPAC name is zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methyl-4a,7a-dihydropyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methylpyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate.

Molecular Properties

• Compound Name: zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methyl-4a,7a-dihydropyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methylpyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate
• PubChem CID: 59480094
• Molecular Formula: C60H66N6O4Zn
• Molecular Weight: 1000.62 g/mol
• Exact Mass: 998.44
• IUPAC Name: zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methyl-4a,7a-dihydropyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methylpyrrolo[3,4-b]pyridin-7-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)C2N=CC=CC12.CC1=N/C(=C\c2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)c2ncccc21.[Zn+2]
• InChI: InChI=1S/C30H35N3O2.C30H33N3O2.Zn/c2*1-17-14-18(2)29(19(3)15-17)35-30(34)26-21(5)33-24(27(26)22-10-7-6-8-11-22)16-25-28-23(20(4)32-25)12-9-13-31-28;/h6-13,16-19,23,28-29H,14-15H2,1-5H3,(H,33,34);6-13,16-19,29H,14-15H2,1-5H3,(H,31,32,33,34);/q;;+2/p-2/b25-16-
• InChIKey: PUMKEVUDRRSKJH-DSHYBBOZSA-L
• XLogP: 12.85
• TPSA: 130.77 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.62
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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)-(5-methyl-4a,7a-dihydropyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methylpyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate?

The IUPAC name of zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methyl-4a,7a-dihydropyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methylpyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate (CID 59480094) is zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methyl-4a,7a-dihydropyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methylpyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate.

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

The canonical SMILES for zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methyl-4a,7a-dihydropyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methylpyrrolo[3,4-b]pyridin-7-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)C2N=CC=CC12.CC1=N/C(=C\c2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)c2ncccc21.[Zn+2].

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

The InChIKey is PUMKEVUDRRSKJH-DSHYBBOZSA-L. The full InChI is InChI=1S/C30H35N3O2.C30H33N3O2.Zn/c2*1-17-14-18(2)29(19(3)15-17)35-30(34)26-21(5)33-24(27(26)22-10-7-6-8-11-22)16-25-28-23(20(4)32-25)12-9-13-31-28;/h6-13,16-19,23,28-29H,14-15H2,1-5H3,(H,33,34);6-13,16-19,29H,14-15H2,1-5H3,(H,31,32,33,34);/q;;+2/p-2/b25-16-;;.

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

zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methyl-4a,7a-dihydropyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methylpyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate has a molecular weight of 1000.62 g/mol, XLogP of 12.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methyl-4a,7a-dihydropyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[(Z)-(5-methylpyrrolo[3,4-b]pyridin-7-ylidene)methyl]-4-phenylpyrrol-1-ide-3-carboxylate is sourced from PubChem (CID 59480094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).