15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one

C41H27NOSi — CID 155645556

About 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one

15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one (PubChem CID 155645556) has the molecular formula C41H27NOSi and a molecular weight of 577.76 g/mol. Its IUPAC name is 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one.

Molecular Properties

• Compound Name: 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one
• PubChem CID: 155645556
• Molecular Formula: C41H27NOSi
• Molecular Weight: 577.76 g/mol
• Exact Mass: 577.19
• IUPAC Name: 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one
• SMILES: O=C1c2c3cccccc-3cc2-c2cccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c21
• InChI: InChI=1S/C41H27NOSi/c43-41-39-31-20-9-1-4-15-28(31)27-33(39)32-21-14-24-36(40(32)41)42-34-22-10-12-25-37(34)44(29-16-5-2-6-17-29,30-18-7-3-8-19-30)38-26-13-11-23-35(38)42/h1-27H
• InChIKey: VJNPTINYNBNOOT-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.76
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one?

The IUPAC name of 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one (CID 155645556) is 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one.

What is the SMILES notation for 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one?

The canonical SMILES for 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one is O=C1c2c3cccccc-3cc2-c2cccc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c21.

What is the InChIKey of 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one?

The InChIKey is VJNPTINYNBNOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27NOSi/c43-41-39-31-20-9-1-4-15-28(31)27-33(39)32-21-14-24-36(40(32)41)42-34-22-10-12-25-37(34)44(29-16-5-2-6-17-29,30-18-7-3-8-19-30)38-26-13-11-23-35(38)42/h1-27H.

What are the key properties of 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one?

15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one has a molecular weight of 577.76 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one is sourced from PubChem (CID 155645556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).