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

C144H200BrCl3Li3Si8Zr+3 — CID 162267516

IUPACtrilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene
SMILESBrc1cccc2c1CC=C2.C1=Cc2cccc(-c3ccccc3)c2C1.CCCCC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3c(-c4ccccc4)cccc32)C=C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4)CCCC32)C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4)CCCC32)C1.C[Si](C)(Cl)[Si](C)(C)C1C=Cc2c(-c3ccccc3)cccc21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+].[Li+].c1ccc(C2CCCC3CCCC32)cc1
InChIInChI=1S/2C28H48Si2.C28H36Si2.C19H23ClSi2.C15H20.C15H12.C9H7Br.2CH3.2ClH.3Li.Zr/c3*1-6-7-12-22-17-18-24(21-22)29(2,3)30(4,5)28-20-19-26-25(15-11-16-27(26)28)23-13-9-8-10-14-23;1-21(2,22(3,4)20)19-14-13-17-16(11-8-12-18(17)19)15-9-6-5-7-10-15;2*1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-15(13)14;10-9-6-2-4-7-3-1-5-8(7)9;;;;;;;;/h2*8-10,13-14,22,24-28H,6-7,11-12,15-21H2,1-5H3;8-11,13-21,24,28H,6-7,12H2,1-5H3;5-14,19H,1-4H3;1-3,6-7,13-15H,4-5,8-11H2;1-10H,11H2;1-4,6H,5H2;2*1H3;2*1H;;;;/q;;;;;;;2*-1;;;3*+1;+4/p-2
InChIKeyNGJIKCGYPFQGDP-UHFFFAOYSA-L
MW2454.18 g/mol
LogP37.80
Rot. Bonds26

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

trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene (PubChem CID 162267516) has the molecular formula C144H200BrCl3Li3Si8Zr+3 and a molecular weight of 2454.18 g/mol. Its IUPAC name is trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene.

Molecular Properties

Compound Nametrilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene
PubChem CID162267516
Molecular FormulaC144H200BrCl3Li3Si8Zr+3
Molecular Weight2454.18 g/mol
Exact Mass2448.16
IUPAC Nametrilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene
SMILESBrc1cccc2c1CC=C2.C1=Cc2cccc(-c3ccccc3)c2C1.CCCCC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3c(-c4ccccc4)cccc32)C=C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4)CCCC32)C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4)CCCC32)C1.C[Si](C)(Cl)[Si](C)(C)C1C=Cc2c(-c3ccccc3)cccc21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+].[Li+].c1ccc(C2CCCC3CCCC32)cc1
InChIInChI=1S/2C28H48Si2.C28H36Si2.C19H23ClSi2.C15H20.C15H12.C9H7Br.2CH3.2ClH.3Li.Zr/c3*1-6-7-12-22-17-18-24(21-22)29(2,3)30(4,5)28-20-19-26-25(15-11-16-27(26)28)23-13-9-8-10-14-23;1-21(2,22(3,4)20)19-14-13-17-16(11-8-12-18(17)19)15-9-6-5-7-10-15;2*1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-15(13)14;10-9-6-2-4-7-3-1-5-8(7)9;;;;;;;;/h2*8-10,13-14,22,24-28H,6-7,11-12,15-21H2,1-5H3;8-11,13-21,24,28H,6-7,12H2,1-5H3;5-14,19H,1-4H3;1-3,6-7,13-15H,4-5,8-11H2;1-10H,11H2;1-4,6H,5H2;2*1H3;2*1H;;;;/q;;;;;;;2*-1;;;3*+1;+4/p-2
InChIKeyNGJIKCGYPFQGDP-UHFFFAOYSA-L
XLogP37.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002454.18
LogP ≤ 537.80
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 trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene?
The IUPAC name of trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene (CID 162267516) is trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene.
What is the SMILES notation for trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene?
The canonical SMILES for trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene is Brc1cccc2c1CC=C2.C1=Cc2cccc(-c3ccccc3)c2C1.CCCCC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3c(-c4ccccc4)cccc32)C=C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4)CCCC32)C1.CCCCC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4)CCCC32)C1.C[Si](C)(Cl)[Si](C)(C)C1C=Cc2c(-c3ccccc3)cccc21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+].[Li+].c1ccc(C2CCCC3CCCC32)cc1.
What is the InChIKey of trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene?
The InChIKey is NGJIKCGYPFQGDP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C28H48Si2.C28H36Si2.C19H23ClSi2.C15H20.C15H12.C9H7Br.2CH3.2ClH.3Li.Zr/c3*1-6-7-12-22-17-18-24(21-22)29(2,3)30(4,5)28-20-19-26-25(15-11-16-27(26)28)23-13-9-8-10-14-23;1-21(2,22(3,4)20)19-14-13-17-16(11-8-12-18(17)19)15-9-6-5-7-10-15;2*1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-15(13)14;10-9-6-2-4-7-3-1-5-8(7)9;;;;;;;;/h2*8-10,13-14,22,24-28H,6-7,11-12,15-21H2,1-5H3;8-11,13-21,24,28H,6-7,12H2,1-5H3;5-14,19H,1-4H3;1-3,6-7,13-15H,4-5,8-11H2;1-10H,11H2;1-4,6H,5H2;2*1H3;2*1H;;;;/q;;;;;;;2*-1;;;3*+1;+4/p-2.
What are the key properties of trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene?
trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene has a molecular weight of 2454.18 g/mol, XLogP of 37.80, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;7-bromo-1H-indene;(3-butylcyclopenta-2,4-dien-1-yl)-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;bis((3-butylcyclopentyl)-[dimethyl-(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane);carbanide;chloro-[dimethyl-(4-phenyl-1H-inden-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-phenyl-1H-indene is sourced from PubChem (CID 162267516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).