[4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane

C36H50SSi — CID 89311878

IUPAC[4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane
SMILESCC1=C(c2ccccc2)C2CC(C)C([Si](C)(C)C3CCC4C(c5ccc(C(C)(C)C)cc5)CCCC43)C2S1
InChIInChI=1S/C36H50SSi/c1-23-22-31-33(26-12-9-8-10-13-26)24(2)37-34(31)35(23)38(6,7)32-21-20-29-28(14-11-15-30(29)32)25-16-18-27(19-17-25)36(3,4)5/h8-10,12-13,16-19,23,28-32,34-35H,11,14-15,20-22H2,1-7H3
InChIKeyZLLBWGUINBNXNP-UHFFFAOYSA-N
MW542.95 g/mol
LogP10.93
Rot. Bonds4

About [4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane

[4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane (PubChem CID 89311878) has the molecular formula C36H50SSi and a molecular weight of 542.95 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane
PubChem CID89311878
Molecular FormulaC36H50SSi
Molecular Weight542.95 g/mol
Exact Mass542.34
IUPAC Name[4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane
SMILESCC1=C(c2ccccc2)C2CC(C)C([Si](C)(C)C3CCC4C(c5ccc(C(C)(C)C)cc5)CCCC43)C2S1
InChIInChI=1S/C36H50SSi/c1-23-22-31-33(26-12-9-8-10-13-26)24(2)37-34(31)35(23)38(6,7)32-21-20-29-28(14-11-15-30(29)32)25-16-18-27(19-17-25)36(3,4)5/h8-10,12-13,16-19,23,28-32,34-35H,11,14-15,20-22H2,1-7H3
InChIKeyZLLBWGUINBNXNP-UHFFFAOYSA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.95
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane with MolForge

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Related Compounds

[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
bis[3-(4-tert-butylphenyl)-2,5-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane
CID 89128654
[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
[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
dimethyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 165155308
[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
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-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-dimethyl-[5-methyl-2,3-bis(2-methyl-1-benzothiophen-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]silane
CID 91089712
ethyl-methyl-bis(4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 59972142
[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
bis[3-(4-tert-butylphenyl)-5-ethyl-2-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162292773
dimethyl-(2-methyl-4-quinolin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-(4-quinolin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)silane
CID 162298218

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The IUPAC name of [4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane (CID 89311878) is [4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane.
What is the SMILES notation for [4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The canonical SMILES for [4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane is CC1=C(c2ccccc2)C2CC(C)C([Si](C)(C)C3CCC4C(c5ccc(C(C)(C)C)cc5)CCCC43)C2S1.
What is the InChIKey of [4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
The InChIKey is ZLLBWGUINBNXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50SSi/c1-23-22-31-33(26-12-9-8-10-13-26)24(2)37-34(31)35(23)38(6,7)32-21-20-29-28(14-11-15-30(29)32)25-16-18-27(19-17-25)36(3,4)5/h8-10,12-13,16-19,23,28-32,34-35H,11,14-15,20-22H2,1-7H3.
What are the key properties of [4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane?
[4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane has a molecular weight of 542.95 g/mol, XLogP of 10.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-(2,5-dimethyl-3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-6-yl)-dimethylsilane is sourced from PubChem (CID 89311878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).