bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)

C52H86Cl2SiZr — CID 162298364

IUPACbis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCC1CC2C(c3ccc(C(C)(C)C)cc3)CC(C(C)(C)C)CC2C1[Si](C)(C)C1C(C)CC2C(c3ccc(C(C)(C)C)cc3)CC(C(C)(C)C)CC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C50H80Si.2CH3.2ClH.Zr/c1-31-25-41-39(33-17-21-35(22-18-33)47(3,4)5)27-37(49(9,10)11)29-43(41)45(31)51(15,16)46-32(2)26-42-40(28-38(30-44(42)46)50(12,13)14)34-19-23-36(24-20-34)48(6,7)8;;;;;/h17-24,31-32,37-46H,25-30H2,1-16H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyUQNXDRGAGSMPAV-UHFFFAOYSA-L
MW901.48 g/mol
LogP17.33
Rot. Bonds4

About bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)

bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162298364) has the molecular formula C52H86Cl2SiZr and a molecular weight of 901.48 g/mol. Its IUPAC name is bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Namebis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)
PubChem CID162298364
Molecular FormulaC52H86Cl2SiZr
Molecular Weight901.48 g/mol
Exact Mass898.49
IUPAC Namebis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)
SMILESCC1CC2C(c3ccc(C(C)(C)C)cc3)CC(C(C)(C)C)CC2C1[Si](C)(C)C1C(C)CC2C(c3ccc(C(C)(C)C)cc3)CC(C(C)(C)C)CC21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C50H80Si.2CH3.2ClH.Zr/c1-31-25-41-39(33-17-21-35(22-18-33)47(3,4)5)27-37(49(9,10)11)29-43(41)45(31)51(15,16)46-32(2)26-42-40(28-38(30-44(42)46)50(12,13)14)34-19-23-36(24-20-34)48(6,7)8;;;;;/h17-24,31-32,37-46H,25-30H2,1-16H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyUQNXDRGAGSMPAV-UHFFFAOYSA-L
XLogP17.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.48
LogP ≤ 517.33
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 bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+) with MolForge

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Related Compounds

[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(1,2-dimethyl-2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[b][1]benzofuran-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162298375
bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)
CID 162292584
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 91172293
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethylsilane;carbanide;dichlorozirconium(2+)
CID 162292582
[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-diethyl-[2-methyl-4-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]silane;carbanide;dichlorozirconium(2+)
CID 162292585
[3-(4-tert-butylphenyl)-2,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162298359
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(4,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane
CID 162298378
carbanide;[4-(3,5-ditert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(3,4-dimethyl-7-thiatricyclo[6.4.0.02,6]dodecan-5-yl)-dimethylsilane;dichlorozirconium(2+)
CID 162298356
dimethyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 91269102
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-(4-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silane
CID 171406225
[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-[2-methyl-3-(2-methylphenyl)-5-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane
CID 91093836
2-(4-tert-butylphenyl)cyclopropan-1-ol
CID 142590960

Frequently Asked Questions

What is the IUPAC name of bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)?
The IUPAC name of bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+) (CID 162298364) is bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+).
What is the SMILES notation for bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)?
The canonical SMILES for bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+) is CC1CC2C(c3ccc(C(C)(C)C)cc3)CC(C(C)(C)C)CC2C1[Si](C)(C)C1C(C)CC2C(c3ccc(C(C)(C)C)cc3)CC(C(C)(C)C)CC21.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)?
The InChIKey is UQNXDRGAGSMPAV-UHFFFAOYSA-L. The full InChI is InChI=1S/C50H80Si.2CH3.2ClH.Zr/c1-31-25-41-39(33-17-21-35(22-18-33)47(3,4)5)27-37(49(9,10)11)29-43(41)45(31)51(15,16)46-32(2)26-42-40(28-38(30-44(42)46)50(12,13)14)34-19-23-36(24-20-34)48(6,7)8;;;;;/h17-24,31-32,37-46H,25-30H2,1-16H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.
What are the key properties of bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)?
bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 901.48 g/mol, XLogP of 17.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162298364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).