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

C33H31NSi2 — CID 140719840

IUPAC[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane
SMILESCc1cc(-c2ccc3c(c2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)ncc1[Si](C)(C)C
InChIInChI=1S/C33H31NSi2/c1-24-21-30(34-23-33(24)35(2,3)4)25-19-20-32-29(22-25)28-17-11-12-18-31(28)36(32,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-23H,1-4H3
InChIKeyIOOJCRMXZPBAMX-UHFFFAOYSA-N
MW497.79 g/mol
LogP4.96
Rot. Bonds4

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

[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane (PubChem CID 140719840) has the molecular formula C33H31NSi2 and a molecular weight of 497.79 g/mol. Its IUPAC name is [6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane
PubChem CID140719840
Molecular FormulaC33H31NSi2
Molecular Weight497.79 g/mol
Exact Mass497.20
IUPAC Name[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane
SMILESCc1cc(-c2ccc3c(c2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)ncc1[Si](C)(C)C
InChIInChI=1S/C33H31NSi2/c1-24-21-30(34-23-33(24)35(2,3)4)25-19-20-32-29(22-25)28-17-11-12-18-31(28)36(32,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-23H,1-4H3
InChIKeyIOOJCRMXZPBAMX-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.79
LogP ≤ 54.96
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-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane?
The IUPAC name of [6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane (CID 140719840) is [6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane is Cc1cc(-c2ccc3c(c2)-c2ccccc2[Si]3(c2ccccc2)c2ccccc2)ncc1[Si](C)(C)C.
What is the InChIKey of [6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane?
The InChIKey is IOOJCRMXZPBAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NSi2/c1-24-21-30(34-23-33(24)35(2,3)4)25-19-20-32-29(22-25)28-17-11-12-18-31(28)36(32,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-23H,1-4H3.
What are the key properties of [6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane?
[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane has a molecular weight of 497.79 g/mol, XLogP of 4.96, 4 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-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 140719840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).