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

C90H146Cl2Li2Si4Zr+2 — CID 162289026

IUPACdilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCCC(C)C1=CC([Si](C)(C)C)c2ccccc21.CCC(C)C1=CC([Si](C)(C)C2C=Cc3ccccc32)c2ccccc21.CCC(C)C1CC([Si](C)(C)C2CCC3CCCCC32)C2CCCCC12.CCC(C)C1CC([Si](C)(C)C2CCC3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+]
InChIInChI=1S/2C24H44Si.C24H28Si.C16H24Si.2CH3.2ClH.2Li.Zr/c3*1-5-17(2)22-16-24(21-13-9-8-12-20(21)22)25(3,4)23-15-14-18-10-6-7-11-19(18)23;1-6-12(2)15-11-16(17(3,4)5)14-10-8-7-9-13(14)15;;;;;;;/h2*17-24H,5-16H2,1-4H3;6-17,23-24H,5H2,1-4H3;7-12,16H,6H2,1-5H3;2*1H3;2*1H;;;/q;;;;2*-1;;;2*+1;+4/p-2
InChIKeyZGOOTZWGYUWDNM-UHFFFAOYSA-L
MW1516.51 g/mol
LogP24.00
Rot. Bonds15

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

dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162289026) has the molecular formula C90H146Cl2Li2Si4Zr+2 and a molecular weight of 1516.51 g/mol. Its IUPAC name is dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Namedilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+)
PubChem CID162289026
Molecular FormulaC90H146Cl2Li2Si4Zr+2
Molecular Weight1516.51 g/mol
Exact Mass1512.92
IUPAC Namedilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCCC(C)C1=CC([Si](C)(C)C)c2ccccc21.CCC(C)C1=CC([Si](C)(C)C2C=Cc3ccccc32)c2ccccc21.CCC(C)C1CC([Si](C)(C)C2CCC3CCCCC32)C2CCCCC12.CCC(C)C1CC([Si](C)(C)C2CCC3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+]
InChIInChI=1S/2C24H44Si.C24H28Si.C16H24Si.2CH3.2ClH.2Li.Zr/c3*1-5-17(2)22-16-24(21-13-9-8-12-20(21)22)25(3,4)23-15-14-18-10-6-7-11-19(18)23;1-6-12(2)15-11-16(17(3,4)5)14-10-8-7-9-13(14)15;;;;;;;/h2*17-24H,5-16H2,1-4H3;6-17,23-24H,5H2,1-4H3;7-12,16H,6H2,1-5H3;2*1H3;2*1H;;;/q;;;;2*-1;;;2*+1;+4/p-2
InChIKeyZGOOTZWGYUWDNM-UHFFFAOYSA-L
XLogP24.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001516.51
LogP ≤ 524.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+)?
The IUPAC name of dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+) (CID 162289026) is dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+) is CCC(C)C1=CC([Si](C)(C)C)c2ccccc21.CCC(C)C1=CC([Si](C)(C)C2C=Cc3ccccc32)c2ccccc21.CCC(C)C1CC([Si](C)(C)C2CCC3CCCCC32)C2CCCCC12.CCC(C)C1CC([Si](C)(C)C2CCC3CCCCC32)C2CCCCC12.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+].
What is the InChIKey of dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+)?
The InChIKey is ZGOOTZWGYUWDNM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H44Si.C24H28Si.C16H24Si.2CH3.2ClH.2Li.Zr/c3*1-5-17(2)22-16-24(21-13-9-8-12-20(21)22)25(3,4)23-15-14-18-10-6-7-11-19(18)23;1-6-12(2)15-11-16(17(3,4)5)14-10-8-7-9-13(14)15;;;;;;;/h2*17-24H,5-16H2,1-4H3;6-17,23-24H,5H2,1-4H3;7-12,16H,6H2,1-5H3;2*1H3;2*1H;;;/q;;;;2*-1;;;2*+1;+4/p-2.
What are the key properties of dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+)?
dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 1516.51 g/mol, XLogP of 24.00, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-(3-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);(3-butan-2-yl-1H-inden-1-yl)-(1H-inden-1-yl)-dimethylsilane;(3-butan-2-yl-1H-inden-1-yl)-trimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162289026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).