[3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane

C29H36Si2 — CID 87703818

IUPAC[3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
SMILESCCC1=Cc2c(ccc(-c3ccccc3)c2-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)C1
InChIInChI=1S/C29H36Si2/c1-8-21-16-23-14-15-27(22-12-10-9-11-13-22)29(28(23)17-21)24-18-25(30(2,3)4)20-26(19-24)31(5,6)7/h9-15,17-20H,8,16H2,1-7H3
InChIKeyIANVQKRXNUPUJL-UHFFFAOYSA-N
MW440.78 g/mol
LogP7.46
Rot. Bonds5

About [3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane

[3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane (PubChem CID 87703818) has the molecular formula C29H36Si2 and a molecular weight of 440.78 g/mol. Its IUPAC name is [3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
PubChem CID87703818
Molecular FormulaC29H36Si2
Molecular Weight440.78 g/mol
Exact Mass440.24
IUPAC Name[3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
SMILESCCC1=Cc2c(ccc(-c3ccccc3)c2-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)C1
InChIInChI=1S/C29H36Si2/c1-8-21-16-23-14-15-27(22-12-10-9-11-13-22)29(28(23)17-21)24-18-25(30(2,3)4)20-26(19-24)31(5,6)7/h9-15,17-20H,8,16H2,1-7H3
InChIKeyIANVQKRXNUPUJL-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.78
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The IUPAC name of [3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane (CID 87703818) is [3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane.
What is the SMILES notation for [3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The canonical SMILES for [3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane is CCC1=Cc2c(ccc(-c3ccccc3)c2-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)C1.
What is the InChIKey of [3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The InChIKey is IANVQKRXNUPUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36Si2/c1-8-21-16-23-14-15-27(22-12-10-9-11-13-22)29(28(23)17-21)24-18-25(30(2,3)4)20-26(19-24)31(5,6)7/h9-15,17-20H,8,16H2,1-7H3.
What are the key properties of [3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
[3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane has a molecular weight of 440.78 g/mol, XLogP of 7.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethyl-5-phenyl-1H-inden-4-yl)-5-trimethylsilylphenyl]-trimethylsilane is sourced from PubChem (CID 87703818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).