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

C121H162BrCl3LiSi6Zr+ — CID 162267517

IUPAClithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene
SMILESBrc1cccc2c1CC=C2.CCCCC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3c(-c4ccccc4C)cccc32)C=C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4C)CCCC32)C1.Cc1ccccc1-c1cccc2c1C=CC2[Si](C)(C)[Si](C)(C)Cl.Cc1ccccc1-c1cccc2c1CC=C2.Cc1ccccc1C1CCCC2CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+]
InChIInChI=1S/C29H50Si2.C29H38Si2.C20H25ClSi2.C16H22.C16H14.C9H7Br.2CH3.2ClH.Li.Zr/c2*1-7-8-13-23-17-18-24(21-23)30(3,4)31(5,6)29-20-19-27-26(15-11-16-28(27)29)25-14-10-9-12-22(25)2;1-15-9-6-7-10-16(15)17-11-8-12-19-18(17)13-14-20(19)22(2,3)23(4,5)21;2*1-12-6-2-3-9-14(12)16-11-5-8-13-7-4-10-15(13)16;10-9-6-2-4-7-3-1-5-8(7)9;;;;;;/h9-10,12,14,23-24,26-29H,7-8,11,13,15-21H2,1-6H3;9-12,14-21,24,29H,7-8,13H2,1-6H3;6-14,20H,1-5H3;2-3,6,9,13,15-16H,4-5,7-8,10-11H2,1H3;2-9,11H,10H2,1H3;1-4,6H,5H2;2*1H3;2*1H;;/q;;;;;;2*-1;;;+1;+4/p-2
InChIKeyLRRNPAKLDIIISM-UHFFFAOYSA-L
MW2069.57 g/mol
LogP36.13
Rot. Bonds19

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

lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene (PubChem CID 162267517) has the molecular formula C121H162BrCl3LiSi6Zr+ and a molecular weight of 2069.57 g/mol. Its IUPAC name is lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene.

Molecular Properties

Compound Namelithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene
PubChem CID162267517
Molecular FormulaC121H162BrCl3LiSi6Zr+
Molecular Weight2069.57 g/mol
Exact Mass2063.87
IUPAC Namelithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene
SMILESBrc1cccc2c1CC=C2.CCCCC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3c(-c4ccccc4C)cccc32)C=C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4C)CCCC32)C1.Cc1ccccc1-c1cccc2c1C=CC2[Si](C)(C)[Si](C)(C)Cl.Cc1ccccc1-c1cccc2c1CC=C2.Cc1ccccc1C1CCCC2CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+]
InChIInChI=1S/C29H50Si2.C29H38Si2.C20H25ClSi2.C16H22.C16H14.C9H7Br.2CH3.2ClH.Li.Zr/c2*1-7-8-13-23-17-18-24(21-23)30(3,4)31(5,6)29-20-19-27-26(15-11-16-28(27)29)25-14-10-9-12-22(25)2;1-15-9-6-7-10-16(15)17-11-8-12-19-18(17)13-14-20(19)22(2,3)23(4,5)21;2*1-12-6-2-3-9-14(12)16-11-5-8-13-7-4-10-15(13)16;10-9-6-2-4-7-3-1-5-8(7)9;;;;;;/h9-10,12,14,23-24,26-29H,7-8,11,13,15-21H2,1-6H3;9-12,14-21,24,29H,7-8,13H2,1-6H3;6-14,20H,1-5H3;2-3,6,9,13,15-16H,4-5,7-8,10-11H2,1H3;2-9,11H,10H2,1H3;1-4,6H,5H2;2*1H3;2*1H;;/q;;;;;;2*-1;;;+1;+4/p-2
InChIKeyLRRNPAKLDIIISM-UHFFFAOYSA-L
XLogP36.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002069.57
LogP ≤ 536.13
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene?
The IUPAC name of lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene (CID 162267517) is lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene.
What is the SMILES notation for lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene?
The canonical SMILES for lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene is Brc1cccc2c1CC=C2.CCCCC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3c(-c4ccccc4C)cccc32)C=C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4C)CCCC32)C1.Cc1ccccc1-c1cccc2c1C=CC2[Si](C)(C)[Si](C)(C)Cl.Cc1ccccc1-c1cccc2c1CC=C2.Cc1ccccc1C1CCCC2CCCC21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].
What is the InChIKey of lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene?
The InChIKey is LRRNPAKLDIIISM-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H50Si2.C29H38Si2.C20H25ClSi2.C16H22.C16H14.C9H7Br.2CH3.2ClH.Li.Zr/c2*1-7-8-13-23-17-18-24(21-23)30(3,4)31(5,6)29-20-19-27-26(15-11-16-28(27)29)25-14-10-9-12-22(25)2;1-15-9-6-7-10-16(15)17-11-8-12-19-18(17)13-14-20(19)22(2,3)23(4,5)21;2*1-12-6-2-3-9-14(12)16-11-5-8-13-7-4-10-15(13)16;10-9-6-2-4-7-3-1-5-8(7)9;;;;;;/h9-10,12,14,23-24,26-29H,7-8,11,13,15-21H2,1-6H3;9-12,14-21,24,29H,7-8,13H2,1-6H3;6-14,20H,1-5H3;2-3,6,9,13,15-16H,4-5,7-8,10-11H2,1H3;2-9,11H,10H2,1H3;1-4,6H,5H2;2*1H3;2*1H;;/q;;;;;;2*-1;;;+1;+4/p-2.
What are the key properties of lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene?
lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene has a molecular weight of 2069.57 g/mol, XLogP of 36.13, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-[4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silyl]-dimethylsilane;carbanide;chloro-[dimethyl-[4-(2-methylphenyl)-1H-inden-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+);4-(2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-(2-methylphenyl)-1H-indene is sourced from PubChem (CID 162267517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).