[4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane

C54H72Si — CID 162270332

IUPAC[4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
SMILESCCCCCCC1CC2C(c3ccccc3-c3ccccc3)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(c3cc(C(C)(C)C)c(C)c(C(C)(C)C)c3)=CC=CC21
InChIInChI=1S/C54H72Si/c1-12-13-14-16-25-39-33-48-44(43-27-20-19-26-41(43)38-23-17-15-18-24-38)29-22-31-46(48)52(39)55(10,11)51-36(2)32-47-42(28-21-30-45(47)51)40-34-49(53(4,5)6)37(3)50(35-40)54(7,8)9/h15,17-24,26-31,34-36,39,45-48,51-52H,12-14,16,25,32-33H2,1-11H3
InChIKeyCEDXHZWJTUECKY-UHFFFAOYSA-N
MW749.26 g/mol
LogP15.81
Rot. Bonds10

About [4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane

[4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane (PubChem CID 162270332) has the molecular formula C54H72Si and a molecular weight of 749.26 g/mol. Its IUPAC name is [4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Name[4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
PubChem CID162270332
Molecular FormulaC54H72Si
Molecular Weight749.26 g/mol
Exact Mass748.54
IUPAC Name[4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
SMILESCCCCCCC1CC2C(c3ccccc3-c3ccccc3)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(c3cc(C(C)(C)C)c(C)c(C(C)(C)C)c3)=CC=CC21
InChIInChI=1S/C54H72Si/c1-12-13-14-16-25-39-33-48-44(43-27-20-19-26-41(43)38-23-17-15-18-24-38)29-22-31-46(48)52(39)55(10,11)51-36(2)32-47-42(28-21-30-45(47)51)40-34-49(53(4,5)6)37(3)50(35-40)54(7,8)9/h15,17-24,26-31,34-36,39,45-48,51-52H,12-14,16,25,32-33H2,1-11H3
InChIKeyCEDXHZWJTUECKY-UHFFFAOYSA-N
XLogP15.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.26
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 59227036
bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
CID 156627158
bis[2-cyclopropyl-4-(3,5-ditert-butyl-4-methoxyphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 140679016
2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
CID 162298446
[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
[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
carbanide;dichlorozirconium(2+);2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
CID 162298445
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
bis[4-(4-tert-butylphenyl)-2-(cyclohexylmethyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane;carbanide;dichlorozirconium(2+)
CID 162291574
1-methyl-2-pentadecylcyclopropane
CID 54385825
1,5-ditert-butyl-2-methyl-3-phenylbenzene
CID 171424873

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of [4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane (CID 162270332) is [4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for [4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for [4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane is CCCCCCC1CC2C(c3ccccc3-c3ccccc3)=CC=CC2C1[Si](C)(C)C1C(C)CC2C(c3cc(C(C)(C)C)c(C)c(C(C)(C)C)c3)=CC=CC21.
What is the InChIKey of [4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
The InChIKey is CEDXHZWJTUECKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H72Si/c1-12-13-14-16-25-39-33-48-44(43-27-20-19-26-41(43)38-23-17-15-18-24-38)29-22-31-46(48)52(39)55(10,11)51-36(2)32-47-42(28-21-30-45(47)51)40-34-49(53(4,5)6)37(3)50(35-40)54(7,8)9/h15,17-24,26-31,34-36,39,45-48,51-52H,12-14,16,25,32-33H2,1-11H3.
What are the key properties of [4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane?
[4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane has a molecular weight of 749.26 g/mol, XLogP of 15.81, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-ditert-butyl-4-methylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[2-hexyl-4-(2-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 162270332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).