[2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane

C28H29NSi2 — CID 140720085

IUPAC[2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane
SMILESC[Si](C)(C)c1cc(-c2ccccc2)cnc1-c1ccc2c(c1)-c1ccccc1[Si]2(C)C
InChIInChI=1S/C28H29NSi2/c1-30(2,3)27-18-22(20-11-7-6-8-12-20)19-29-28(27)21-15-16-26-24(17-21)23-13-9-10-14-25(23)31(26,4)5/h6-19H,1-5H3
InChIKeyLUDKFRMGAXDPGI-UHFFFAOYSA-N
MW435.72 g/mol
LogP5.76
Rot. Bonds3

About [2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane

[2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane (PubChem CID 140720085) has the molecular formula C28H29NSi2 and a molecular weight of 435.72 g/mol. Its IUPAC name is [2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane
PubChem CID140720085
Molecular FormulaC28H29NSi2
Molecular Weight435.72 g/mol
Exact Mass435.18
IUPAC Name[2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane
SMILESC[Si](C)(C)c1cc(-c2ccccc2)cnc1-c1ccc2c(c1)-c1ccccc1[Si]2(C)C
InChIInChI=1S/C28H29NSi2/c1-30(2,3)27-18-22(20-11-7-6-8-12-20)19-29-28(27)21-15-16-26-24(17-21)23-13-9-10-14-25(23)31(26,4)5/h6-19H,1-5H3
InChIKeyLUDKFRMGAXDPGI-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

2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787156
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787296
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
CID 155787405
[6-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenyl-3-pyridinyl]-trimethylsilane
CID 140719724
5,5-dimethyl-3-phenyl-[1]benzosilolo[3,2-c]pyridine
CID 140720208
2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)furan
CID 153288757
2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 156661349
[6-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane
CID 140719840
4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 160731038
2-(5,5-dimethyl-3-phenylbenzo[b][1]benzosilol-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155787127
2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5-(3,5-diphenylphenyl)pyrimidine
CID 59133586
trimethyl-[4-phenyl-2-(5-phenyl-2-trimethylsilylphenyl)phenyl]silane
CID 138968702

Frequently Asked Questions

What is the IUPAC name of [2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane?
The IUPAC name of [2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane (CID 140720085) is [2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane is C[Si](C)(C)c1cc(-c2ccccc2)cnc1-c1ccc2c(c1)-c1ccccc1[Si]2(C)C.
What is the InChIKey of [2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane?
The InChIKey is LUDKFRMGAXDPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NSi2/c1-30(2,3)27-18-22(20-11-7-6-8-12-20)19-29-28(27)21-15-16-26-24(17-21)23-13-9-10-14-25(23)31(26,4)5/h6-19H,1-5H3.
What are the key properties of [2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane?
[2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-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 [2-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-5-phenyl-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 140720085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).