2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)

C52H70Br2Cl2F2Si2Zr — CID 162286395

About 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)

2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162286395) has the molecular formula C52H70Br2Cl2F2Si2Zr and a molecular weight of 1111.24 g/mol. Its IUPAC name is 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

• Compound Name: 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
• PubChem CID: 162286395
• Molecular Formula: C52H70Br2Cl2F2Si2Zr
• Molecular Weight: 1111.24 g/mol
• Exact Mass: 1106.18
• IUPAC Name: 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
• SMILES: CC1=Cc2c(Br)cc(F)cc2C1[Si](C)(C)C1c2ccccc2-c2ccccc21.CC1CC2C(Br)CC(F)CC2C1[Si](C)(C)C1C2CCCCC2C2CCCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
• InChI: InChI=1S/C25H42BrFSi.C25H22BrFSi.2CH3.2ClH.Zr/c2*1-15-12-21-22(13-16(27)14-23(21)26)24(15)28(2,3)25-19-10-6-4-8-17(19)18-9-5-7-11-20(18)25;;;;;/h15-25H,4-14H2,1-3H3;4-14,24-25H,1-3H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
• InChIKey: BBFLXNQRVIAIMO-UHFFFAOYSA-L
• XLogP: 18.19
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1111.24
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'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 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?

The IUPAC name of 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) (CID 162286395) is 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+).

What is the SMILES notation for 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?

The canonical SMILES for 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) is CC1=Cc2c(Br)cc(F)cc2C1[Si](C)(C)C1c2ccccc2-c2ccccc21.CC1CC2C(Br)CC(F)CC2C1[Si](C)(C)C1C2CCCCC2C2CCCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-].

What is the InChIKey of 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?

The InChIKey is BBFLXNQRVIAIMO-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H42BrFSi.C25H22BrFSi.2CH3.2ClH.Zr/c2*1-15-12-21-22(13-16(27)14-23(21)26)24(15)28(2,3)25-19-10-6-4-8-17(19)18-9-5-7-11-20(18)25;;;;;/h15-25H,4-14H2,1-3H3;4-14,24-25H,1-3H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2.

What are the key properties of 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)?

2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 1111.24 g/mol, XLogP of 18.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(4-bromo-6-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane;(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162286395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).