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

C52H68OSi — CID 90229254

IUPAC[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cc(C)cc21
InChIInChI=1S/C52H68OSi/c1-31-23-39(34-19-21-36(22-20-34)49(4,5)6)40-25-32(2)47(42(40)24-31)54(17,18)48-33(3)26-41-43(48)30-44(52(13,14)15)46(53-16)45(41)35-27-37(50(7,8)9)29-38(28-35)51(10,11)12/h19-30,47-48H,1-18H3
InChIKeyNKUNIQURPAPTMN-UHFFFAOYSA-N
MW737.20 g/mol
LogP15.02
Rot. Bonds5

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

[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane (PubChem CID 90229254) has the molecular formula C52H68OSi and a molecular weight of 737.20 g/mol. Its IUPAC name is [6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Name[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane
PubChem CID90229254
Molecular FormulaC52H68OSi
Molecular Weight737.20 g/mol
Exact Mass736.50
IUPAC Name[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cc(C)cc21
InChIInChI=1S/C52H68OSi/c1-31-23-39(34-19-21-36(22-20-34)49(4,5)6)40-25-32(2)47(42(40)24-31)54(17,18)48-33(3)26-41-43(48)30-44(52(13,14)15)46(53-16)45(41)35-27-37(50(7,8)9)29-38(28-35)51(10,11)12/h19-30,47-48H,1-18H3
InChIKeyNKUNIQURPAPTMN-UHFFFAOYSA-N
XLogP15.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.20
LogP ≤ 515.02
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)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of [6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane (CID 90229254) is [6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for [6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for [6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane is COc1c(C(C)(C)C)cc2c(c1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cc(C)cc21.
What is the InChIKey of [6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane?
The InChIKey is NKUNIQURPAPTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H68OSi/c1-31-23-39(34-19-21-36(22-20-34)49(4,5)6)40-25-32(2)47(42(40)24-31)54(17,18)48-33(3)26-41-43(48)30-44(52(13,14)15)46(53-16)45(41)35-27-37(50(7,8)9)29-38(28-35)51(10,11)12/h19-30,47-48H,1-18H3.
What are the key properties of [6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane?
[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane has a molecular weight of 737.20 g/mol, XLogP of 15.02, 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)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 90229254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).