bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane

C47H60Si — CID 140789626

IUPACbis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane
SMILESCC1Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C1CCCCC1)C1c2cccc(-c3ccc(C(C)(C)C)cc3)c2CC1C
InChIInChI=1S/C47H60Si/c1-31-29-42-38(33-21-25-35(26-22-33)46(3,4)5)17-13-19-40(42)44(31)48(9,37-15-11-10-12-16-37)45-32(2)30-43-39(18-14-20-41(43)45)34-23-27-36(28-24-34)47(6,7)8/h13-14,17-28,31-32,37,44-45H,10-12,15-16,29-30H2,1-9H3
InChIKeyOBNKTTVIONYLNI-UHFFFAOYSA-N
MW653.08 g/mol
LogP13.36
Rot. Bonds5

About bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane

bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane (PubChem CID 140789626) has the molecular formula C47H60Si and a molecular weight of 653.08 g/mol. Its IUPAC name is bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane.

Molecular Properties

Compound Namebis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane
PubChem CID140789626
Molecular FormulaC47H60Si
Molecular Weight653.08 g/mol
Exact Mass652.45
IUPAC Namebis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane
SMILESCC1Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C1CCCCC1)C1c2cccc(-c3ccc(C(C)(C)C)cc3)c2CC1C
InChIInChI=1S/C47H60Si/c1-31-29-42-38(33-21-25-35(26-22-33)46(3,4)5)17-13-19-40(42)44(31)48(9,37-15-11-10-12-16-37)45-32(2)30-43-39(18-14-20-41(43)45)34-23-27-36(28-24-34)47(6,7)8/h13-14,17-28,31-32,37,44-45H,10-12,15-16,29-30H2,1-9H3
InChIKeyOBNKTTVIONYLNI-UHFFFAOYSA-N
XLogP13.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.08
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-dimethylsilane
CID 154597159
4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-indene
CID 160681776
bis[7-(4-tert-butylphenyl)-2-methyl-3H-inden-3-id-1-yl]-cyclohexyl-methylsilane;zirconium(4+);dichloride
CID 21113431
4-(4-tert-butylphenyl)-3H-2-benzofuran-1-one
CID 161452277
2-(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]aniline
CID 170289729
4-(4-tert-butylphenyl)-2-(cycloheptylmethyl)-1H-indene
CID 87474795
8-(4-tert-butylphenyl)-4-methyl-3,4-dihydro-1,2λ4,3-benzoxathiazine 2-oxide
CID 166874014
7-(4-tert-butylphenyl)-1H-indene
CID 91144251
bis[7-(4-tert-butylphenyl)-3-chloro-2-[(1-methylcyclohexyl)methyl]-3H-inden-1-yl]-dimethylsilane
CID 141266546
(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine
CID 143821603
cyclopentyl-(9H-fluoren-9-yl)-dimethoxysilane
CID 54179598
1-N,3-N-bis[2,6-bis(4-tert-butylphenyl)phenyl]-1-N,3-N-bis(4-bromophenyl)-5-cyclohexylbenzene-1,3-diamine
CID 171434162

Frequently Asked Questions

What is the IUPAC name of bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane?
The IUPAC name of bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane (CID 140789626) is bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane.
What is the SMILES notation for bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane?
The canonical SMILES for bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane is CC1Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C1CCCCC1)C1c2cccc(-c3ccc(C(C)(C)C)cc3)c2CC1C.
What is the InChIKey of bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane?
The InChIKey is OBNKTTVIONYLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H60Si/c1-31-29-42-38(33-21-25-35(26-22-33)46(3,4)5)17-13-19-40(42)44(31)48(9,37-15-11-10-12-16-37)45-32(2)30-43-39(18-14-20-41(43)45)34-23-27-36(28-24-34)47(6,7)8/h13-14,17-28,31-32,37,44-45H,10-12,15-16,29-30H2,1-9H3.
What are the key properties of bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane?
bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane has a molecular weight of 653.08 g/mol, XLogP of 13.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-tert-butylphenyl)-2-methyl-2,3-dihydro-1H-inden-1-yl]-cyclohexyl-methylsilane is sourced from PubChem (CID 140789626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).