dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+)

C97H167Cl3Li2Si11Zr+2 — CID 162297738

IUPACdilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+)
SMILESC[Si](C)(C)CC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3c2ccc2ccccc32)C=C1.C[Si](C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C4CCCCC4CCC32)C1.C[Si](C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C4CCCCC4CCC32)C1.C[Si](C)(Cl)[Si](C)(C)C1C=Cc2c1ccc1ccccc21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+]
InChIInChI=1S/2C26H52Si3.C26H36Si3.C17H21ClSi2.2CH3.2ClH.2Li.Zr/c3*1-27(2,3)19-20-12-14-22(18-20)28(4,5)29(6,7)26-17-16-24-23-11-9-8-10-21(23)13-15-25(24)26;1-19(2,20(3,4)18)17-12-11-15-14-8-6-5-7-13(14)9-10-16(15)17;;;;;;;/h2*20-26H,8-19H2,1-7H3;8-18,22,26H,19H2,1-7H3;5-12,17H,1-4H3;2*1H3;2*1H;;;/q;;;;2*-1;;;2*+1;+4/p-2
InChIKeyNBPBSPDNCSIZBT-UHFFFAOYSA-L
MW1853.81 g/mol
LogP28.17
Rot. Bonds17

About dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+)

dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+) (PubChem CID 162297738) has the molecular formula C97H167Cl3Li2Si11Zr+2 and a molecular weight of 1853.81 g/mol. Its IUPAC name is dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+).

Molecular Properties

Compound Namedilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+)
PubChem CID162297738
Molecular FormulaC97H167Cl3Li2Si11Zr+2
Molecular Weight1853.81 g/mol
Exact Mass1848.90
IUPAC Namedilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+)
SMILESC[Si](C)(C)CC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3c2ccc2ccccc32)C=C1.C[Si](C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C4CCCCC4CCC32)C1.C[Si](C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C4CCCCC4CCC32)C1.C[Si](C)(Cl)[Si](C)(C)C1C=Cc2c1ccc1ccccc21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+]
InChIInChI=1S/2C26H52Si3.C26H36Si3.C17H21ClSi2.2CH3.2ClH.2Li.Zr/c3*1-27(2,3)19-20-12-14-22(18-20)28(4,5)29(6,7)26-17-16-24-23-11-9-8-10-21(23)13-15-25(24)26;1-19(2,20(3,4)18)17-12-11-15-14-8-6-5-7-13(14)9-10-16(15)17;;;;;;;/h2*20-26H,8-19H2,1-7H3;8-18,22,26H,19H2,1-7H3;5-12,17H,1-4H3;2*1H3;2*1H;;;/q;;;;2*-1;;;2*+1;+4/p-2
InChIKeyNBPBSPDNCSIZBT-UHFFFAOYSA-L
XLogP28.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001853.81
LogP ≤ 528.17
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'}

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Related Compounds

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
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane;carbanide;hafnium(4+)
CID 162297481
dilithium;bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl-[[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilyl]-dimethylsilane);carbanide;chloro-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane;dichlorozirconium(2+);[3-(2,2-dimethylpropyl)cyclopenta-2,4-dien-1-yl]-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)silyl]-dimethylsilane
CID 162279405
cyclopentyl-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane
CID 162267524
carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane;dichlorozirconium(2+)
CID 162293983
carbanide;dichlorozirconium(2+);[dimethyl-[3-(2-methylpropyl)cyclopentyl]silyl]-dimethyl-[4-(2-phenylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
CID 162281482
bis[(3R)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
CID 101485885
bis[(3S)-3H-cyclopenta[a]naphthalen-3-yl]-dimethylsilane
CID 101485886
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-[3-(1-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)
CID 162282348
(3-butylcyclopentyl)-[dimethyl-(2-methyl-2,3,3a,4,5,5a,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)silyl]-dimethylsilane;(3-butylcyclopentyl)-[dimethyl-(4-naphthalen-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;tetrakis(dichlorozirconium(2+));[dimethyl-(2-methyl-4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]-dimethyl-[3-(2-methylpropyl)cyclopentyl]silane;[dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]-[3-(2,2-dimethylpropyl)cyclopentyl]-dimethylsilane
CID 162279442
(3-butylcyclopentyl)-[dimethyl-(4-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silyl]-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162291217
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

Frequently Asked Questions

What is the IUPAC name of dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+)?
The IUPAC name of dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+) (CID 162297738) is dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+).
What is the SMILES notation for dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+)?
The canonical SMILES for dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+) is C[Si](C)(C)CC1=CC([Si](C)(C)[Si](C)(C)C2C=Cc3c2ccc2ccccc32)C=C1.C[Si](C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C4CCCCC4CCC32)C1.C[Si](C)(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C4CCCCC4CCC32)C1.C[Si](C)(Cl)[Si](C)(C)C1C=Cc2c1ccc1ccccc21.Cl[Zr+2]Cl.[CH3-].[CH3-].[Li+].[Li+].
What is the InChIKey of dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+)?
The InChIKey is NBPBSPDNCSIZBT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C26H52Si3.C26H36Si3.C17H21ClSi2.2CH3.2ClH.2Li.Zr/c3*1-27(2,3)19-20-12-14-22(18-20)28(4,5)29(6,7)26-17-16-24-23-11-9-8-10-21(23)13-15-25(24)26;1-19(2,20(3,4)18)17-12-11-15-14-8-6-5-7-13(14)9-10-16(15)17;;;;;;;/h2*20-26H,8-19H2,1-7H3;8-18,22,26H,19H2,1-7H3;5-12,17H,1-4H3;2*1H3;2*1H;;;/q;;;;2*-1;;;2*+1;+4/p-2.
What are the key properties of dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+)?
dilithium;bis(2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+) has a molecular weight of 1853.81 g/mol, XLogP of 28.17, 17 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,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopentyl]silyl]-dimethylsilane);carbanide;chloro-[3H-cyclopenta[a]naphthalen-3-yl(dimethyl)silyl]-dimethylsilane;3H-cyclopenta[a]naphthalen-3-yl-[dimethyl-[3-(trimethylsilylmethyl)cyclopenta-2,4-dien-1-yl]silyl]-dimethylsilane;dichlorozirconium(2+) is sourced from PubChem (CID 162297738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).