[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane

C46H54OSi — CID 153321039

IUPAC[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1cc(C)cc(C)c1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c1cc1c(c2-c2cc(C)cc(C)c2)CCC1
InChIInChI=1S/C46H54OSi/c1-26-16-27(2)19-33(18-26)41-35-15-13-14-32(35)24-38-36(41)22-30(5)44(38)48(11,12)45-31(6)23-37-39(45)25-40(46(7,8)9)43(47-10)42(37)34-20-28(3)17-29(4)21-34/h16-25,44-45H,13-15H2,1-12H3
InChIKeyLKFGGFGLOYRWTP-UHFFFAOYSA-N
MW651.02 g/mol
LogP12.54
Rot. Bonds5

About [6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane

[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane (PubChem CID 153321039) has the molecular formula C46H54OSi and a molecular weight of 651.02 g/mol. Its IUPAC name is [6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane.

Molecular Properties

Compound Name[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
PubChem CID153321039
Molecular FormulaC46H54OSi
Molecular Weight651.02 g/mol
Exact Mass650.39
IUPAC Name[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
SMILESCOc1c(C(C)(C)C)cc2c(c1-c1cc(C)cc(C)c1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c1cc1c(c2-c2cc(C)cc(C)c2)CCC1
InChIInChI=1S/C46H54OSi/c1-26-16-27(2)19-33(18-26)41-35-15-13-14-32(35)24-38-36(41)22-30(5)44(38)48(11,12)45-31(6)23-37-39(45)25-40(46(7,8)9)43(47-10)42(37)34-20-28(3)17-29(4)21-34/h16-25,44-45H,13-15H2,1-12H3
InChIKeyLKFGGFGLOYRWTP-UHFFFAOYSA-N
XLogP12.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.02
LogP ≤ 512.54
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-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
The IUPAC name of [6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane (CID 153321039) is [6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane.
What is the SMILES notation for [6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
The canonical SMILES for [6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane is COc1c(C(C)(C)C)cc2c(c1-c1cc(C)cc(C)c1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c1cc1c(c2-c2cc(C)cc(C)c2)CCC1.
What is the InChIKey of [6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
The InChIKey is LKFGGFGLOYRWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54OSi/c1-26-16-27(2)19-33(18-26)41-35-15-13-14-32(35)24-38-36(41)22-30(5)44(38)48(11,12)45-31(6)23-37-39(45)25-40(46(7,8)9)43(47-10)42(37)34-20-28(3)17-29(4)21-34/h16-25,44-45H,13-15H2,1-12H3.
What are the key properties of [6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane?
[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane has a molecular weight of 651.02 g/mol, XLogP of 12.54, 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-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane is sourced from PubChem (CID 153321039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).