(3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

C42H56Si — CID 173473434

IUPAC(3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
SMILESCCc1cc(CC)cc([Si](c2cc(C)cc(C)c2)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2C(C)CC3C=CC=CC32)c1
InChIInChI=1S/C42H56Si/c1-12-31-22-32(13-2)24-37(23-31)43(36-19-28(3)18-29(4)20-36,40-30(5)21-33-16-14-15-17-39(33)40)38-26-34(41(6,7)8)25-35(27-38)42(9,10)11/h14-20,22-27,30,33,39-40H,12-13,21H2,1-11H3
InChIKeyDSNGVMPIKBBAHU-UHFFFAOYSA-N
MW589.00 g/mol
LogP9.26
Rot. Bonds6

About (3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane

(3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane (PubChem CID 173473434) has the molecular formula C42H56Si and a molecular weight of 589.00 g/mol. Its IUPAC name is (3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane.

Molecular Properties

Compound Name(3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
PubChem CID173473434
Molecular FormulaC42H56Si
Molecular Weight589.00 g/mol
Exact Mass588.42
IUPAC Name(3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
SMILESCCc1cc(CC)cc([Si](c2cc(C)cc(C)c2)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2C(C)CC3C=CC=CC32)c1
InChIInChI=1S/C42H56Si/c1-12-31-22-32(13-2)24-37(23-31)43(36-19-28(3)18-29(4)20-36,40-30(5)21-33-16-14-15-17-39(33)40)38-26-34(41(6,7)8)25-35(27-38)42(9,10)11/h14-20,22-27,30,33,39-40H,12-13,21H2,1-11H3
InChIKeyDSNGVMPIKBBAHU-UHFFFAOYSA-N
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.00
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The IUPAC name of (3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane (CID 173473434) is (3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane.
What is the SMILES notation for (3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The canonical SMILES for (3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane is CCc1cc(CC)cc([Si](c2cc(C)cc(C)c2)(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2C(C)CC3C=CC=CC32)c1.
What is the InChIKey of (3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
The InChIKey is DSNGVMPIKBBAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H56Si/c1-12-31-22-32(13-2)24-37(23-31)43(36-19-28(3)18-29(4)20-36,40-30(5)21-33-16-14-15-17-39(33)40)38-26-34(41(6,7)8)25-35(27-38)42(9,10)11/h14-20,22-27,30,33,39-40H,12-13,21H2,1-11H3.
What are the key properties of (3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane?
(3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane has a molecular weight of 589.00 g/mol, XLogP of 9.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane is sourced from PubChem (CID 173473434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).