7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one

C40H30N2OSi — CID 140820703

About 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one

7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one (PubChem CID 140820703) has the molecular formula C40H30N2OSi and a molecular weight of 582.78 g/mol. Its IUPAC name is 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one.

Molecular Properties

• Compound Name: 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one
• PubChem CID: 140820703
• Molecular Formula: C40H30N2OSi
• Molecular Weight: 582.78 g/mol
• Exact Mass: 582.21
• IUPAC Name: 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one
• SMILES: Cc1cn(-c2ccccc2)c(=O)c2cc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)ccc12
• InChI: InChI=1S/C40H30N2OSi/c1-29-28-41(30-15-5-2-6-16-30)40(43)35-27-31(25-26-34(29)35)42-36-21-11-13-23-38(36)44(32-17-7-3-8-18-32,33-19-9-4-10-20-33)39-24-14-12-22-37(39)42/h2-28H,1H3
• InChIKey: ZGMKTVJODPKCOP-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 25.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.78
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one?

The IUPAC name of 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one (CID 140820703) is 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one.

What is the SMILES notation for 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one?

The canonical SMILES for 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one is Cc1cn(-c2ccccc2)c(=O)c2cc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)ccc12.

What is the InChIKey of 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one?

The InChIKey is ZGMKTVJODPKCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2OSi/c1-29-28-41(30-15-5-2-6-16-30)40(43)35-27-31(25-26-34(29)35)42-36-21-11-13-23-38(36)44(32-17-7-3-8-18-32,33-19-9-4-10-20-33)39-24-14-12-22-37(39)42/h2-28H,1H3.

What are the key properties of 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one?

7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one has a molecular weight of 582.78 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-4-methyl-2-phenylisoquinolin-1-one is sourced from PubChem (CID 140820703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).