bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane

C54H68Si — CID 87083768

IUPACbis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
SMILESCC(C)CC1=C([Si](C)(C)C2=C(CC(C)C)Cc3cc4c(c(-c5ccc(C(C)(C)C)cc5)c32)CCC4)c2c(cc3c(c2-c2ccc(C(C)(C)C)cc2)CCC3)C1
InChIInChI=1S/C54H68Si/c1-33(2)27-41-31-39-29-37-15-13-17-45(37)47(35-19-23-43(24-20-35)53(5,6)7)49(39)51(41)55(11,12)52-42(28-34(3)4)32-40-30-38-16-14-18-46(38)48(50(40)52)36-21-25-44(26-22-36)54(8,9)10/h19-26,29-30,33-34H,13-18,27-28,31-32H2,1-12H3
InChIKeyAGSZBCZKYVCEPI-UHFFFAOYSA-N
MW745.22 g/mol
LogP14.79
Rot. Bonds8

About bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane

bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane (PubChem CID 87083768) has the molecular formula C54H68Si and a molecular weight of 745.22 g/mol. Its IUPAC name is bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
PubChem CID87083768
Molecular FormulaC54H68Si
Molecular Weight745.22 g/mol
Exact Mass744.51
IUPAC Namebis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
SMILESCC(C)CC1=C([Si](C)(C)C2=C(CC(C)C)Cc3cc4c(c(-c5ccc(C(C)(C)C)cc5)c32)CCC4)c2c(cc3c(c2-c2ccc(C(C)(C)C)cc2)CCC3)C1
InChIInChI=1S/C54H68Si/c1-33(2)27-41-31-39-29-37-15-13-17-45(37)47(35-19-23-43(24-20-35)53(5,6)7)49(39)51(41)55(11,12)52-42(28-34(3)4)32-40-30-38-16-14-18-46(38)48(50(40)52)36-21-25-44(26-22-36)54(8,9)10/h19-26,29-30,33-34H,13-18,27-28,31-32H2,1-12H3
InChIKeyAGSZBCZKYVCEPI-UHFFFAOYSA-N
XLogP14.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.22
LogP ≤ 514.79
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

3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 122383670
8-(4-tert-butylphenyl)-4-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[f][2,1,3]benzothiadiazole
CID 156741800
[4-(4-tert-butylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalen-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 178126128
2-methyl-5-[4-(4-propan-2-ylphenyl)-1,5,6,7-tetrahydro-s-indacen-2-yl]furan
CID 175335786
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
CID 101211605
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CID 157413342
13-(4-tert-butylphenyl)-7-thia-9,12-diazatricyclo[6.5.0.02,6]trideca-1(8),2(6),12-trien-10-one
CID 135459299
bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
CID 87558333
2-tert-butyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 58124109
1-tert-butyl-4-(2-methylpropyl)benzene;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene
CID 142606160
CID 153406048
CID 153406048

Frequently Asked Questions

What is the IUPAC name of bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
The IUPAC name of bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane (CID 87083768) is bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane.
What is the SMILES notation for bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
The canonical SMILES for bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane is CC(C)CC1=C([Si](C)(C)C2=C(CC(C)C)Cc3cc4c(c(-c5ccc(C(C)(C)C)cc5)c32)CCC4)c2c(cc3c(c2-c2ccc(C(C)(C)C)cc2)CCC3)C1.
What is the InChIKey of bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
The InChIKey is AGSZBCZKYVCEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H68Si/c1-33(2)27-41-31-39-29-37-15-13-17-45(37)47(35-19-23-43(24-20-35)53(5,6)7)49(39)51(41)55(11,12)52-42(28-34(3)4)32-40-30-38-16-14-18-46(38)48(50(40)52)36-21-25-44(26-22-36)54(8,9)10/h19-26,29-30,33-34H,13-18,27-28,31-32H2,1-12H3.
What are the key properties of bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane has a molecular weight of 745.22 g/mol, XLogP of 14.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[8-(4-tert-butylphenyl)-2-(2-methylpropyl)-3,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane is sourced from PubChem (CID 87083768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).