Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+)

C₁₀₀H₁₄₈Cl₄Fe₂MgN₄OZr₃-3 — CID 162281119

About Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+)

Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+) (PubChem CID 162281119) has the molecular formula C₁₀₀H₁₄₈Cl₄Fe₂MgN₄OZr₃-3 and a molecular weight of 1973.79 g/mol. Its IUPAC name is magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+).

Molecular Properties

• Compound Name: Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+)
• PubChem CID: 162281119
• Molecular Formula: C₁₀₀H₁₄₈Cl₄Fe₂MgN₄OZr₃-3
• Molecular Weight: 1973.79 g/mol
• Exact Mass: 1966.61
• IUPAC Name: magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+)
• SMILES: C1CCCC1.C1CCCC1.CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(C2[CH-]CCC2)n1.CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(C2[CH-]CCC2)n1.CCOCC.Cl[Zr+2]Cl.Cl[Zr]Cl.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Mg+2].[Zr+3]
• InChI: InChI=1S/2C32H40N2.2C7H7.2C5H10.C4H10O.8CH3.4ClH.2Fe.Mg.3Zr/c2*1-21(2)25-15-9-10-16-28(25)32(30-20-12-19-29(33-30)24-13-7-8-14-24)34-31-26(22(3)4)17-11-18-27(31)23(5)6;2*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;1-3-5-4-2;;;;;;;;;;;;;;;;;;/h2*9-13,15-24,32H,7-8,14H2,1-6H3;2*2-6H,1H2;2*1-5H2;3-4H2,1-2H3;8*1H3;4*1H;;;;;;/q2*-2;2*-1;;;;8*-1;;;;;4*+2;+3;+4/p-4
• InChIKey: PSOVEWLNYPCPRD-UHFFFAOYSA-J
• XLogP: 34.09
• TPSA: 63.21 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1973.79
LogP ≤ 5	34.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+)?

The IUPAC name of Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+) (CID 162281119) is magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+).

What is the SMILES notation for Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+)?

The canonical SMILES for Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+) is C1CCCC1.C1CCCC1.CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(C2[CH-]CCC2)n1.CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(C2[CH-]CCC2)n1.CCOCC.Cl[Zr+2]Cl.Cl[Zr]Cl.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].[Mg+2].[Zr+3].

What is the InChIKey of Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+)?

The InChIKey is PSOVEWLNYPCPRD-UHFFFAOYSA-J. The full InChI is InChI=1S/2C32H40N2.2C7H7.2C5H10.C4H10O.8CH3.4ClH.2Fe.Mg.3Zr/c2*1-21(2)25-15-9-10-16-28(25)32(30-20-12-19-29(33-30)24-13-7-8-14-24)34-31-26(22(3)4)17-11-18-27(31)23(5)6;2*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;1-3-5-4-2;;;;;;;;;;;;;;;;;;/h2*9-13,15-24,32H,7-8,14H2,1-6H3;2*2-6H,1H2;2*1-5H2;3-4H2,1-2H3;8*1H3;4*1H;;;;;;/q2*-2;2*-1;;;;8*-1;;;;;4*+2;+3;+4/p-4.

What are the key properties of Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+)?

Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+) has a molecular weight of 1973.79 g/mol, XLogP of 34.09, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Magnesium;carbanide;bis(cyclopentane);bis([(6-cyclopentyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-[2,6-di(propan-2-yl)phenyl]azanide);dichlorozirconium;dichlorozirconium(2+);ethoxyethane;bis(iron(2+));methanidylbenzene;zirconium(3+) is sourced from PubChem (CID 162281119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162281119 — identifiers, structure, computed properties (public domain)

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