[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane

C27H27NSi2 — CID 140719829

IUPAC[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)c1ccc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)nc1
InChIInChI=1S/C27H27NSi2/c1-29(2,20-11-6-5-7-12-20)21-17-18-25(28-19-21)24-15-10-14-23-22-13-8-9-16-26(22)30(3,4)27(23)24/h5-19H,1-4H3
InChIKeyMQMBVJIOKXRGDH-UHFFFAOYSA-N
MW421.69 g/mol
LogP4.37
Rot. Bonds3

About [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane

[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane (PubChem CID 140719829) has the molecular formula C27H27NSi2 and a molecular weight of 421.69 g/mol. Its IUPAC name is [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane
PubChem CID140719829
Molecular FormulaC27H27NSi2
Molecular Weight421.69 g/mol
Exact Mass421.17
IUPAC Name[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane
SMILESC[Si](C)(c1ccccc1)c1ccc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)nc1
InChIInChI=1S/C27H27NSi2/c1-29(2,20-11-6-5-7-12-20)21-17-18-25(28-19-21)24-15-10-14-23-22-13-8-9-16-26(22)30(3,4)27(23)24/h5-19H,1-4H3
InChIKeyMQMBVJIOKXRGDH-UHFFFAOYSA-N
XLogP4.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.69
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane
CID 140719724
4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133595
dimethyl-phenyl-(6-phenyl-3-pyridinyl)silane
CID 132565946
[6-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;[6-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)-3-pyridinyl]-dimethyl-phenylsilane;bis(iridium);bis(2-phenylpyridine)
CID 163415532
4-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133577
2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5-(3,5-diphenylphenyl)pyrimidine
CID 59133586
4-chloro-5,5-dimethylbenzo[b][1]benzosilole
CID 155787131
5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine
CID 140720208
[6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane
CID 140720125
2-(5,5-dimethyl-2-pyridin-3-ylbenzo[b][1]benzosilol-6-yl)pyridine
CID 153492988
dimethyl-phenyl-[6-(2,3,4,5-tetradeuteriophenyl)-3-pyridinyl]silane
CID 140737904
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787052

Frequently Asked Questions

What is the IUPAC name of [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane?
The IUPAC name of [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane (CID 140719829) is [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane.
What is the SMILES notation for [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane?
The canonical SMILES for [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane is C[Si](C)(c1ccccc1)c1ccc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)nc1.
What is the InChIKey of [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane?
The InChIKey is MQMBVJIOKXRGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NSi2/c1-29(2,20-11-6-5-7-12-20)21-17-18-25(28-19-21)24-15-10-14-23-22-13-8-9-16-26(22)30(3,4)27(23)24/h5-19H,1-4H3.
What are the key properties of [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane?
[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane has a molecular weight of 421.69 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane is sourced from PubChem (CID 140719829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).