[6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane

C36H37NSi2 — CID 140719758

IUPAC[6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
SMILESCC(C)Cc1cc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)ncc1[Si](C)(C)C
InChIInChI=1S/C36H37NSi2/c1-26(2)22-28-23-33(37-25-36(28)38(3,4)5)27-20-21-32-31-18-12-13-19-34(31)39(35(32)24-27,29-14-8-6-9-15-29)30-16-10-7-11-17-30/h6-21,23-26H,22H2,1-5H3
InChIKeyGRTQUUWEVFWZFI-UHFFFAOYSA-N
MW539.87 g/mol
LogP5.85
Rot. Bonds6

About [6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane

[6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane (PubChem CID 140719758) has the molecular formula C36H37NSi2 and a molecular weight of 539.87 g/mol. Its IUPAC name is [6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
PubChem CID140719758
Molecular FormulaC36H37NSi2
Molecular Weight539.87 g/mol
Exact Mass539.25
IUPAC Name[6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
SMILESCC(C)Cc1cc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)ncc1[Si](C)(C)C
InChIInChI=1S/C36H37NSi2/c1-26(2)22-28-23-33(37-25-36(28)38(3,4)5)27-20-21-32-31-18-12-13-19-34(31)39(35(32)24-27,29-14-8-6-9-15-29)30-16-10-7-11-17-30/h6-21,23-26H,22H2,1-5H3
InChIKeyGRTQUUWEVFWZFI-UHFFFAOYSA-N
XLogP5.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.87
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane
CID 140719840
[6-(2-fluorophenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 154591931
trimethyl-[4-(2-methylpropyl)-6-phenanthren-1-yl-3-pyridinyl]silane
CID 156657793
[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 163956322
[6-(4-carbazol-9-ylnaphthalen-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 164706390
iridium;methane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3-phenylphenyl)-3-pyridinyl]silane
CID 158744529
[6-(3-carbazol-9-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 139035258
dimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-phenylsilane
CID 140720405
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)furan
CID 153288755
[6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(5,5-dioxo-2H-dibenzothiophen-2-id-3-yl)-3-pyridinyl]-trimethylsilane;[6-(5,5-diphenyl-2H-benzo[b][1]benzosilol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;tris(iridium);tris(2-phenylpyridine)
CID 161188611
4-(2-methylpropyl)-5-(1-methylsiletan-1-yl)-2-phenylpyridine
CID 140728004
(4-butyl-6-phenyl-3-pyridinyl)-trimethylsilane
CID 140738941

Frequently Asked Questions

What is the IUPAC name of [6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
The IUPAC name of [6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane (CID 140719758) is [6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane is CC(C)Cc1cc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)ncc1[Si](C)(C)C.
What is the InChIKey of [6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
The InChIKey is GRTQUUWEVFWZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37NSi2/c1-26(2)22-28-23-33(37-25-36(28)38(3,4)5)27-20-21-32-31-18-12-13-19-34(31)39(35(32)24-27,29-14-8-6-9-15-29)30-16-10-7-11-17-30/h6-21,23-26H,22H2,1-5H3.
What are the key properties of [6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
[6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane has a molecular weight of 539.87 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 140719758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).