10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one

C29H26N2OSi — CID 160916449

IUPAC10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one
SMILESO=C1C=CC2=Nc3ccc(N4CCCCC4)cc3[Si](c3ccccc3)(c3ccccc3)C2=C1
InChIInChI=1S/C29H26N2OSi/c32-23-15-17-27-29(21-23)33(24-10-4-1-5-11-24,25-12-6-2-7-13-25)28-20-22(14-16-26(28)30-27)31-18-8-3-9-19-31/h1-2,4-7,10-17,20-21H,3,8-9,18-19H2
InChIKeyXHRHDLDVLQNEQJ-UHFFFAOYSA-N
MW446.63 g/mol
LogP3.84
Rot. Bonds3

About 10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one

10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one (PubChem CID 160916449) has the molecular formula C29H26N2OSi and a molecular weight of 446.63 g/mol. Its IUPAC name is 10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one.

Molecular Properties

Compound Name10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one
PubChem CID160916449
Molecular FormulaC29H26N2OSi
Molecular Weight446.63 g/mol
Exact Mass446.18
IUPAC Name10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one
SMILESO=C1C=CC2=Nc3ccc(N4CCCCC4)cc3[Si](c3ccccc3)(c3ccccc3)C2=C1
InChIInChI=1S/C29H26N2OSi/c32-23-15-17-27-29(21-23)33(24-10-4-1-5-11-24,25-12-6-2-7-13-25)28-20-22(14-16-26(28)30-27)31-18-8-3-9-19-31/h1-2,4-7,10-17,20-21H,3,8-9,18-19H2
InChIKeyXHRHDLDVLQNEQJ-UHFFFAOYSA-N
XLogP3.84
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one?
The IUPAC name of 10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one (CID 160916449) is 10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one.
What is the SMILES notation for 10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one?
The canonical SMILES for 10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one is O=C1C=CC2=Nc3ccc(N4CCCCC4)cc3[Si](c3ccccc3)(c3ccccc3)C2=C1.
What is the InChIKey of 10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one?
The InChIKey is XHRHDLDVLQNEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2OSi/c32-23-15-17-27-29(21-23)33(24-10-4-1-5-11-24,25-12-6-2-7-13-25)28-20-22(14-16-26(28)30-27)31-18-8-3-9-19-31/h1-2,4-7,10-17,20-21H,3,8-9,18-19H2.
What are the key properties of 10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one?
10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one has a molecular weight of 446.63 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diphenyl-8-piperidin-1-ylbenzo[b][1,4]benzazasilin-2-one is sourced from PubChem (CID 160916449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).