7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one

C34H27NOSi — CID 140820690

IUPAC7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc21
InChIInChI=1S/C34H27NOSi/c36-32-19-11-12-25-22-23-26(24-29(25)32)35-30-17-7-9-20-33(30)37(27-13-3-1-4-14-27,28-15-5-2-6-16-28)34-21-10-8-18-31(34)35/h1-10,13-18,20-24H,11-12,19H2
InChIKeyYZOBGLBLLXDYEB-UHFFFAOYSA-N
MW493.68 g/mol
LogP5.37
Rot. Bonds3

About 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one

7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 140820690) has the molecular formula C34H27NOSi and a molecular weight of 493.68 g/mol. Its IUPAC name is 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID140820690
Molecular FormulaC34H27NOSi
Molecular Weight493.68 g/mol
Exact Mass493.19
IUPAC Name7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc21
InChIInChI=1S/C34H27NOSi/c36-32-19-11-12-25-22-23-26(24-29(25)32)35-30-17-7-9-20-33(30)37(27-13-3-1-4-14-27,28-15-5-2-6-16-28)34-21-10-8-18-31(34)35/h1-10,13-18,20-24H,11-12,19H2
InChIKeyYZOBGLBLLXDYEB-UHFFFAOYSA-N
XLogP5.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.68
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one (CID 140820690) is 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2ccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc21.
What is the InChIKey of 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is YZOBGLBLLXDYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27NOSi/c36-32-19-11-12-25-22-23-26(24-29(25)32)35-30-17-7-9-20-33(30)37(27-13-3-1-4-14-27,28-15-5-2-6-16-28)34-21-10-8-18-31(34)35/h1-10,13-18,20-24H,11-12,19H2.
What are the key properties of 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one?
7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 493.68 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 140820690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).