pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc

C49H56N3O6Zn- — CID 159178408

About pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc

pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc (PubChem CID 159178408) has the molecular formula C49H56N3O6Zn- and a molecular weight of 848.39 g/mol. Its IUPAC name is pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc.

Molecular Properties

• Compound Name: pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc
• PubChem CID: 159178408
• Molecular Formula: C49H56N3O6Zn-
• Molecular Weight: 848.39 g/mol
• Exact Mass: 846.35
• IUPAC Name: pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc
• SMILES: CC1=NC(=Cc2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)C(c2ccccc2)=C1C(=O)OC1C(C)CC(C)CC1C.O=C(O)c1ccccn1.[Zn]
• InChI: InChI=1S/C43H52N2O4.C6H5NO2.Zn/c1-24-19-26(3)40(27(4)20-24)48-42(46)36-30(7)44-34(38(36)32-15-11-9-12-16-32)23-35-39(33-17-13-10-14-18-33)37(31(8)45-35)43(47)49-41-28(5)21-25(2)22-29(41)6;8-6(9)5-3-1-2-4-7-5;/h9-18,23-29,40-41H,19-22H2,1-8H3,(H,44,45,46,47);1-4H,(H,8,9);/p-1
• InChIKey: XRDUEHSPIPCDHG-UHFFFAOYSA-M
• XLogP: 10.51
• TPSA: 129.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.39
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc?

The IUPAC name of pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc (CID 159178408) is pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc.

What is the SMILES notation for pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc?

The canonical SMILES for pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc is CC1=NC(=Cc2[n-]c(C)c(C(=O)OC3C(C)CC(C)CC3C)c2-c2ccccc2)C(c2ccccc2)=C1C(=O)OC1C(C)CC(C)CC1C.O=C(O)c1ccccn1.[Zn].

What is the InChIKey of pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc?

The InChIKey is XRDUEHSPIPCDHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C43H52N2O4.C6H5NO2.Zn/c1-24-19-26(3)40(27(4)20-24)48-42(46)36-30(7)44-34(38(36)32-15-11-9-12-16-32)23-35-39(33-17-13-10-14-18-33)37(31(8)45-35)43(47)49-41-28(5)21-25(2)22-29(41)6;8-6(9)5-3-1-2-4-7-5;/h9-18,23-29,40-41H,19-22H2,1-8H3,(H,44,45,46,47);1-4H,(H,8,9);/p-1.

What are the key properties of pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc?

pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc has a molecular weight of 848.39 g/mol, XLogP of 10.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for pyridine-2-carboxylic acid;(2,4,6-trimethylcyclohexyl) 2-methyl-5-[[5-methyl-3-phenyl-4-(2,4,6-trimethylcyclohexyl)oxycarbonylpyrrol-2-ylidene]methyl]-4-phenylpyrrol-1-ide-3-carboxylate;zinc is sourced from PubChem (CID 159178408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).