trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)

C90H156Br5Cl3Li3Si8Zr+3 — CID 162267822

About trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)

trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162267822) has the molecular formula C90H156Br5Cl3Li3Si8Zr+3 and a molecular weight of 2080.85 g/mol. Its IUPAC name is trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

• Compound Name: trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)
• PubChem CID: 162267822
• Molecular Formula: C90H156Br5Cl3Li3Si8Zr+3
• Molecular Weight: 2080.85 g/mol
• Exact Mass: 2071.49
• IUPAC Name: trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)
• SMILES: BrC1CCCC2CCCC12.CCCCC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3c(Br)cccc32)C=C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(Br)CCCC32)C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(Br)CCCC32)C1.C[Si](C)(Cl)[Si](C)(C)C1C=Cc2c(Br)cccc21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+].[Li+]
• InChI: InChI=1S/2C22H43BrSi2.C22H31BrSi2.C13H18BrClSi2.C9H15Br.2CH3.2ClH.3Li.Zr/c3*1-6-7-9-17-12-13-18(16-17)24(2,3)25(4,5)22-15-14-19-20(22)10-8-11-21(19)23;1-16(2,17(3,4)15)13-9-8-10-11(13)6-5-7-12(10)14;10-9-6-2-4-7-3-1-5-8(7)9;;;;;;;;/h2*17-22H,6-16H2,1-5H3;8,10-16,18,22H,6-7,9H2,1-5H3;5-9,13H,1-4H3;7-9H,1-6H2;2*1H3;2*1H;;;;/q;;;;;2*-1;;;3*+1;+4/p-2
• InChIKey: VVIIHARONHSHJW-UHFFFAOYSA-L
• XLogP: 25.99
• TPSA: 0.00 Ų
• Rotatable Bonds: 20
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2080.85
LogP ≤ 5	25.99
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

The IUPAC name of trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+) (CID 162267822) is trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+).

What is the SMILES notation for trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

The canonical SMILES for trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+) is BrC1CCCC2CCCC12.CCCCC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3c(Br)cccc32)C=C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(Br)CCCC32)C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(Br)CCCC32)C1.C[Si](C)(Cl)[Si](C)(C)C1C=Cc2c(Br)cccc21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+].[Li+].

What is the InChIKey of trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

The InChIKey is VVIIHARONHSHJW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H43BrSi2.C22H31BrSi2.C13H18BrClSi2.C9H15Br.2CH3.2ClH.3Li.Zr/c3*1-6-7-9-17-12-13-18(16-17)24(2,3)25(4,5)22-15-14-19-20(22)10-8-11-21(19)23;1-16(2,17(3,4)15)13-9-8-10-11(13)6-5-7-12(10)14;10-9-6-2-4-7-3-1-5-8(7)9;;;;;;;;/h2*17-22H,6-16H2,1-5H3;8,10-16,18,22H,6-7,9H2,1-5H3;5-9,13H,1-4H3;7-9H,1-6H2;2*1H3;2*1H;;;;/q;;;;;2*-1;;;3*+1;+4/p-2.

What are the key properties of trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 2080.85 g/mol, XLogP of 25.99, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for trilithium;4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis((4-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(3-butylcyclopentyl)-dimethylsilyl]-dimethylsilane);(4-bromo-1H-inden-1-yl)-[(3-butylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-dimethylsilane;(4-bromo-1H-inden-1-yl)-[chloro(dimethyl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162267822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).