bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+)

C76H98Br4Cl2N4Si2Zr2 — CID 162286301

About bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+)

bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+) (PubChem CID 162286301) has the molecular formula C76H98Br4Cl2N4Si2Zr2 and a molecular weight of 1696.79 g/mol. Its IUPAC name is bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+).

Molecular Properties

• Compound Name: bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+)
• PubChem CID: 162286301
• Molecular Formula: C76H98Br4Cl2N4Si2Zr2
• Molecular Weight: 1696.79 g/mol
• Exact Mass: 1688.15
• IUPAC Name: bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+)
• SMILES: CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.CC1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C)CC2C(Br)CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Zr+4].c1ccc([N-]CCC[N-]c2ccccc2)cc1.c1ccc([N-]CCC[N-]c2ccccc2)cc1
• InChI: InChI=1S/C22H38Br2Si.C22H22Br2Si.2C15H16N2.2CH3.2ClH.2Zr/c2*1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24;2*1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;;;;;;/h13-22H,5-12H2,1-4H3;5-12,21-22H,1-4H3;2*1-6,8-11H,7,12-13H2;2*1H3;2*1H;;/q;;2*-2;2*-1;;;2*+4/p-2
• InChIKey: WRVIFHYXHOAGTC-UHFFFAOYSA-L
• XLogP: 27.42
• TPSA: 56.40 Ų
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1696.79
LogP ≤ 5	27.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+)?

The IUPAC name of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+) (CID 162286301) is bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+).

What is the SMILES notation for bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+)?

The canonical SMILES for bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+) is CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.CC1CC2C(Br)CCCC2C1[Si](C)(C)C1C(C)CC2C(Br)CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Zr+4].c1ccc([N-]CCC[N-]c2ccccc2)cc1.c1ccc([N-]CCC[N-]c2ccccc2)cc1.

What is the InChIKey of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+)?

The InChIKey is WRVIFHYXHOAGTC-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H38Br2Si.C22H22Br2Si.2C15H16N2.2CH3.2ClH.2Zr/c2*1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24;2*1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;;;;;;/h13-22H,5-12H2,1-4H3;5-12,21-22H,1-4H3;2*1-6,8-11H,7,12-13H2;2*1H3;2*1H;;/q;;2*-2;2*-1;;;2*+4/p-2.

What are the key properties of bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+)?

bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+) has a molecular weight of 1696.79 g/mol, XLogP of 27.42, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+);bis(phenyl(3-phenylazanidylpropyl)azanide);zirconium(4+) is sourced from PubChem (CID 162286301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).