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

C36H58Cl2Si2Zr — CID 162281482

IUPACcarbanide;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
SMILESCC(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4-c4ccccc4)CCCC32)C1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C34H52Si2.2CH3.2ClH.Zr/c1-25(2)23-26-19-20-28(24-26)35(3,4)36(5,6)34-22-21-32-31(17-12-18-33(32)34)30-16-11-10-15-29(30)27-13-8-7-9-14-27;;;;;/h7-11,13-16,25-26,28,31-34H,12,17-24H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyWACXNXWARCSSHQ-UHFFFAOYSA-L
MW709.16 g/mol
LogP13.01
Rot. Bonds7

About 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

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 (PubChem CID 162281482) has the molecular formula C36H58Cl2Si2Zr and a molecular weight of 709.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecarbanide;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
PubChem CID162281482
Molecular FormulaC36H58Cl2Si2Zr
Molecular Weight709.16 g/mol
Exact Mass706.25
IUPAC Namecarbanide;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
SMILESCC(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4-c4ccccc4)CCCC32)C1.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C34H52Si2.2CH3.2ClH.Zr/c1-25(2)23-26-19-20-28(24-26)35(3,4)36(5,6)34-22-21-32-31(17-12-18-33(32)34)30-16-11-10-15-29(30)27-13-8-7-9-14-27;;;;;/h7-11,13-16,25-26,28,31-34H,12,17-24H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyWACXNXWARCSSHQ-UHFFFAOYSA-L
XLogP13.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.16
LogP ≤ 513.01
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 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 with MolForge

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Related Compounds

Dichloro[(dimethylsilylene)bis(2-methyl-4-phenylindenyl)]zirconium(IV)
CID 18365609
9,9-Bis(trimethylsilyl)fluorene
CID 553510
Silane, [9,9'-bi-9H-fluorene]-9,9'-diylbis[trimethyl-
CID 552290
CID 10952299
CID 10952299
CID 134991167
CID 134991167
2-(9H-Fluoren-9-yl)-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane
CID 12545113
1,2-Bis(3-trimethylsilyl-indenyl) ethane
CID 69676944
Bis[3-(trifluoromethyl)phenyl]methylidenezirconium(2+);1,9-dihydrofluoren-1-ide;(3,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylsilane;dichloride
CID 87466287
CID 87477595
CID 87477595
CID 87477614
CID 87477614
(3,5-dimethylcyclopenta-1,4-dien-1-yl)-trimethylsilane;9H-fluoren-9-ide;methylidenezirconium(2+);trifluoromethylbenzene;dichloride
CID 87629834
dimethyl-bis[2-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane
CID 91038915

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC1CCC([Si](C)(C)[Si](C)(C)C2CCC3C(c4ccccc4-c4ccccc4)CCCC32)C1.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of 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?
The InChIKey is WACXNXWARCSSHQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C34H52Si2.2CH3.2ClH.Zr/c1-25(2)23-26-19-20-28(24-26)35(3,4)36(5,6)34-22-21-32-31(17-12-18-33(32)34)30-16-11-10-15-29(30)27-13-8-7-9-14-27;;;;;/h7-11,13-16,25-26,28,31-34H,12,17-24H2,1-6H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of 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?
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 has a molecular weight of 709.16 g/mol, XLogP of 13.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162281482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).