[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane

C49H60Si — CID 72574460

IUPAC[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane
SMILESCC(C)C1CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(c3ccccc3)=C3CCCC3=C(c3ccccc3)C21
InChIInChI=1S/C49H60Si/c1-31(2)41-30-42-37(33-25-27-36(28-26-33)49(4,5)6)21-15-24-40(42)48(41)50(7,8)47-32(3)29-43-44(34-17-11-9-12-18-34)38-22-16-23-39(38)45(46(43)47)35-19-13-10-14-20-35/h9-15,17-21,24-28,31-32,40-43,46-48H,16,22-23,29-30H2,1-8H3
InChIKeyUFVLKEKYQJABHI-UHFFFAOYSA-N
MW677.11 g/mol
LogP13.67
Rot. Bonds6

About [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane

[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane (PubChem CID 72574460) has the molecular formula C49H60Si and a molecular weight of 677.11 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane
PubChem CID72574460
Molecular FormulaC49H60Si
Molecular Weight677.11 g/mol
Exact Mass676.45
IUPAC Name[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane
SMILESCC(C)C1CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(c3ccccc3)=C3CCCC3=C(c3ccccc3)C21
InChIInChI=1S/C49H60Si/c1-31(2)41-30-42-37(33-25-27-36(28-26-33)49(4,5)6)21-15-24-40(42)48(41)50(7,8)47-32(3)29-43-44(34-17-11-9-12-18-34)38-22-16-23-39(38)45(46(43)47)35-19-13-10-14-20-35/h9-15,17-21,24-28,31-32,40-43,46-48H,16,22-23,29-30H2,1-8H3
InChIKeyUFVLKEKYQJABHI-UHFFFAOYSA-N
XLogP13.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.11
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane with MolForge

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Related Compounds

carbanide;[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[4-(2-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane;zirconium(4+)
CID 162293972
[4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
CID 162289724
bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
CID 156627158
bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 59227036
(3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene
CID 59107372
bis[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 140679013
bis[4-(4-tert-butylphenyl)-2-(cyclohexylmethyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane;carbanide;dichlorozirconium(2+)
CID 162291574
1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane
CID 162289121
[(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium
CID 58634317
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]-[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-anthracen-9-yl-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 162694927

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane?
The IUPAC name of [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane (CID 72574460) is [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane.
What is the SMILES notation for [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane?
The canonical SMILES for [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane is CC(C)C1CC2C(c3ccc(C(C)(C)C)cc3)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(c3ccccc3)=C3CCCC3=C(c3ccccc3)C21.
What is the InChIKey of [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane?
The InChIKey is UFVLKEKYQJABHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H60Si/c1-31(2)41-30-42-37(33-25-27-36(28-26-33)49(4,5)6)21-15-24-40(42)48(41)50(7,8)47-32(3)29-43-44(34-17-11-9-12-18-34)38-22-16-23-39(38)45(46(43)47)35-19-13-10-14-20-35/h9-15,17-21,24-28,31-32,40-43,46-48H,16,22-23,29-30H2,1-8H3.
What are the key properties of [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane?
[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane has a molecular weight of 677.11 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane is sourced from PubChem (CID 72574460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).