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

C28H29NSi2 — CID 140719724

IUPAC[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane
SMILESC[Si](C)(C)c1cnc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)cc1-c1ccccc1
InChIInChI=1S/C28H29NSi2/c1-30(2,3)27-19-29-25(18-24(27)20-12-7-6-8-13-20)23-16-11-15-22-21-14-9-10-17-26(21)31(4,5)28(22)23/h6-19H,1-5H3
InChIKeyZGINAEAGMJTFBV-UHFFFAOYSA-N
MW435.72 g/mol
LogP5.76
Rot. Bonds3

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

[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane (PubChem CID 140719724) has the molecular formula C28H29NSi2 and a molecular weight of 435.72 g/mol. Its IUPAC name is [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane
PubChem CID140719724
Molecular FormulaC28H29NSi2
Molecular Weight435.72 g/mol
Exact Mass435.18
IUPAC Name[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane
SMILESC[Si](C)(C)c1cnc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)cc1-c1ccccc1
InChIInChI=1S/C28H29NSi2/c1-30(2,3)27-19-29-25(18-24(27)20-12-7-6-8-13-20)23-16-11-15-22-21-14-9-10-17-26(21)31(4,5)28(22)23/h6-19H,1-5H3
InChIKeyZGINAEAGMJTFBV-UHFFFAOYSA-N
XLogP5.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.72
LogP ≤ 55.76
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

(4,6-diphenyl-3-pyridinyl)-trimethylsilane
CID 140710428
[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-3-pyridinyl]-dimethyl-phenylsilane
CID 140719829
2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5-(3,5-diphenylphenyl)pyrimidine
CID 59133586
4-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133577
4-[2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133595
5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine
CID 140720208
[2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane
CID 140720085
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
4-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 155787427
2-(5,5-dimethyl-2-pyridin-3-ylbenzo[b][1]benzosilol-6-yl)pyridine
CID 153492988
4-[4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]propan-2-yl]phenyl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59133587
2,4-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-(3,5-diphenylphenyl)pyrimidine;2-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-4,6-diphenylpyrimidine;2,6-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenylpyridine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5-(3,5-diphenylphenyl)pyrimidine;5-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-2-(3,5-diphenylphenyl)pyrimidine;4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-[3-phenyl-5-(3-phenylphenyl)phenyl]pyrimidine
CID 158356342

Frequently Asked Questions

What is the IUPAC name of [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane?
The IUPAC name of [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane (CID 140719724) is [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane is C[Si](C)(C)c1cnc(-c2cccc3c2[Si](C)(C)c2ccccc2-3)cc1-c1ccccc1.
What is the InChIKey of [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane?
The InChIKey is ZGINAEAGMJTFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NSi2/c1-30(2,3)27-19-29-25(18-24(27)20-12-7-6-8-13-20)23-16-11-15-22-21-14-9-10-17-26(21)31(4,5)28(22)23/h6-19H,1-5H3.
What are the key properties of [6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane?
[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane has a molecular weight of 435.72 g/mol, XLogP of 5.76, 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)-4-phenyl-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 140719724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).