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

C92H132Br8Cl4Si4Zr2 — CID 162286299

IUPACbis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+))
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.CC1CC2C(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.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/2C22H38Br2Si.2C22H22Br2Si.4CH3.4ClH.2Zr/c4*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;;;;;;;;;;/h2*13-22H,5-12H2,1-4H3;2*5-12,21-22H,1-4H3;4*1H3;4*1H;;/q;;;;4*-1;;;;;2*+4/p-4
InChIKeySJRYWDPJCOGHBR-UHFFFAOYSA-J
MW2313.90 g/mol
LogP35.70
Rot. Bonds8

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

bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+)) (PubChem CID 162286299) has the molecular formula C92H132Br8Cl4Si4Zr2 and a molecular weight of 2313.90 g/mol. Its IUPAC name is bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+)).

Molecular Properties

Compound Namebis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+))
PubChem CID162286299
Molecular FormulaC92H132Br8Cl4Si4Zr2
Molecular Weight2313.90 g/mol
Exact Mass2299.97
IUPAC Namebis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+))
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.CC1CC2C(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.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/2C22H38Br2Si.2C22H22Br2Si.4CH3.4ClH.2Zr/c4*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;;;;;;;;;;/h2*13-22H,5-12H2,1-4H3;2*5-12,21-22H,1-4H3;4*1H3;4*1H;;/q;;;;4*-1;;;;;2*+4/p-4
InChIKeySJRYWDPJCOGHBR-UHFFFAOYSA-J
XLogP35.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002313.90
LogP ≤ 535.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

Analyze bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+))?
The IUPAC name of bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+)) (CID 162286299) is bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+)).
What is the SMILES notation for bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+))?
The canonical SMILES for bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+)) is CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.CC1CC2C(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.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+))?
The InChIKey is SJRYWDPJCOGHBR-UHFFFAOYSA-J. The full InChI is InChI=1S/2C22H38Br2Si.2C22H22Br2Si.4CH3.4ClH.2Zr/c4*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;;;;;;;;;;/h2*13-22H,5-12H2,1-4H3;2*5-12,21-22H,1-4H3;4*1H3;4*1H;;/q;;;;4*-1;;;;;2*+4/p-4.
What are the key properties of bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+))?
bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+)) has a molecular weight of 2313.90 g/mol, XLogP of 35.70, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(4-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);bis(bis(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilane);carbanide;bis(dichlorozirconium(2+)) is sourced from PubChem (CID 162286299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).