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

C52H66OSi — CID 153406054

IUPAC[6-tert-butyl-4-(3,5-ditert-butylphenyl)-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(C)(C)C)cc(C(C)(C)C)c1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c1cc1c(c2-c2cc(C)cc(C)c2)CCC1
InChIInChI=1S/C52H66OSi/c1-30-20-31(2)22-35(21-30)45-39-19-17-18-34(39)27-42-40(45)23-32(3)48(42)54(15,16)49-33(4)24-41-43(49)29-44(52(11,12)13)47(53-14)46(41)36-25-37(50(5,6)7)28-38(26-36)51(8,9)10/h20-29,48-49H,17-19H2,1-16H3
InChIKeyFNSNGNFRUWYLQS-UHFFFAOYSA-N
MW735.18 g/mol
LogP14.52
Rot. Bonds5

About [6-tert-butyl-4-(3,5-ditert-butylphenyl)-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-ditert-butylphenyl)-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 153406054) has the molecular formula C52H66OSi and a molecular weight of 735.18 g/mol. Its IUPAC name is [6-tert-butyl-4-(3,5-ditert-butylphenyl)-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-ditert-butylphenyl)-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 CID153406054
Molecular FormulaC52H66OSi
Molecular Weight735.18 g/mol
Exact Mass734.49
IUPAC Name[6-tert-butyl-4-(3,5-ditert-butylphenyl)-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(C)(C)C)cc(C(C)(C)C)c1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c1cc1c(c2-c2cc(C)cc(C)c2)CCC1
InChIInChI=1S/C52H66OSi/c1-30-20-31(2)22-35(21-30)45-39-19-17-18-34(39)27-42-40(45)23-32(3)48(42)54(15,16)49-33(4)24-41-43(49)29-44(52(11,12)13)47(53-14)46(41)36-25-37(50(5,6)7)28-38(26-36)51(8,9)10/h20-29,48-49H,17-19H2,1-16H3
InChIKeyFNSNGNFRUWYLQS-UHFFFAOYSA-N
XLogP14.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.18
LogP ≤ 514.52
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-(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-ditert-butylphenyl)-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 153406054) is [6-tert-butyl-4-(3,5-ditert-butylphenyl)-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-ditert-butylphenyl)-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-ditert-butylphenyl)-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(C)(C)C)cc(C(C)(C)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-ditert-butylphenyl)-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 FNSNGNFRUWYLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H66OSi/c1-30-20-31(2)22-35(21-30)45-39-19-17-18-34(39)27-42-40(45)23-32(3)48(42)54(15,16)49-33(4)24-41-43(49)29-44(52(11,12)13)47(53-14)46(41)36-25-37(50(5,6)7)28-38(26-36)51(8,9)10/h20-29,48-49H,17-19H2,1-16H3.
What are the key properties of [6-tert-butyl-4-(3,5-ditert-butylphenyl)-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-ditert-butylphenyl)-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 735.18 g/mol, XLogP of 14.52, 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-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane is sourced from PubChem (CID 153406054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).