[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane

C51H66OSi — CID 71231056

IUPAC[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)cc21
InChIInChI=1S/C51H66OSi/c1-31-23-39-38(34-25-35(48(3,4)5)27-36(26-34)49(6,7)8)28-37(50(9,10)11)29-41(39)46(31)53(16,17)47-32(2)24-40-42(47)30-43(51(12,13)14)45(52-15)44(40)33-21-19-18-20-22-33/h18-30,46-47H,1-17H3
InChIKeyOWNFNMWECGJSSD-UHFFFAOYSA-N
MW723.17 g/mol
LogP14.71
Rot. Bonds5

About [6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane

[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane (PubChem CID 71231056) has the molecular formula C51H66OSi and a molecular weight of 723.17 g/mol. Its IUPAC name is [6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Name[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane
PubChem CID71231056
Molecular FormulaC51H66OSi
Molecular Weight723.17 g/mol
Exact Mass722.49
IUPAC Name[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)cc21
InChIInChI=1S/C51H66OSi/c1-31-23-39-38(34-25-35(48(3,4)5)27-36(26-34)49(6,7)8)28-37(50(9,10)11)29-41(39)46(31)53(16,17)47-32(2)24-40-42(47)30-43(51(12,13)14)45(52-15)44(40)33-21-19-18-20-22-33/h18-30,46-47H,1-17H3
InChIKeyOWNFNMWECGJSSD-UHFFFAOYSA-N
XLogP14.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.17
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of [6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane (CID 71231056) is [6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for [6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for [6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane is COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)cc21.
What is the InChIKey of [6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane?
The InChIKey is OWNFNMWECGJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H66OSi/c1-31-23-39-38(34-25-35(48(3,4)5)27-36(26-34)49(6,7)8)28-37(50(9,10)11)29-41(39)46(31)53(16,17)47-32(2)24-40-42(47)30-43(51(12,13)14)45(52-15)44(40)33-21-19-18-20-22-33/h18-30,46-47H,1-17H3.
What are the key properties of [6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane?
[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane has a molecular weight of 723.17 g/mol, XLogP of 14.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 71231056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).