10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine

C73H49NO2Si — CID 140937115

About 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine

10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine (PubChem CID 140937115) has the molecular formula C73H49NO2Si and a molecular weight of 1000.29 g/mol. Its IUPAC name is 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine.

Molecular Properties

• Compound Name: 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine
• PubChem CID: 140937115
• Molecular Formula: C73H49NO2Si
• Molecular Weight: 1000.29 g/mol
• Exact Mass: 999.35
• IUPAC Name: 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine
• SMILES: c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3c2cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)c3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C73H49NO2Si/c1-7-24-50(25-8-1)52-42-44-65-63(46-52)73(54-28-11-3-12-29-54,55-30-13-4-14-31-55)64-47-53(51-26-9-2-10-27-51)43-45-66(64)74(65)56-48-61-59-36-19-20-38-67(59)75-71(61)62(49-56)60-37-23-41-70-72(60)76-68-39-21-22-40-69(68)77(70,57-32-15-5-16-33-57)58-34-17-6-18-35-58/h1-49H
• InChIKey: ITOOLYDHJYMYGH-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 25.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.29
LogP ≤ 5	16.24
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 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine?

The IUPAC name of 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine (CID 140937115) is 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine.

What is the SMILES notation for 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine?

The canonical SMILES for 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine is c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3c2cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)c3oc4ccccc4c3c2)cc1.

What is the InChIKey of 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine?

The InChIKey is ITOOLYDHJYMYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49NO2Si/c1-7-24-50(25-8-1)52-42-44-65-63(46-52)73(54-28-11-3-12-29-54,55-30-13-4-14-31-55)64-47-53(51-26-9-2-10-27-51)43-45-66(64)74(65)56-48-61-59-36-19-20-38-67(59)75-71(61)62(49-56)60-37-23-41-70-72(60)76-68-39-21-22-40-69(68)77(70,57-32-15-5-16-33-57)58-34-17-6-18-35-58/h1-49H.

What are the key properties of 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine?

10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine has a molecular weight of 1000.29 g/mol, XLogP of 16.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]-2,7,9,9-tetraphenylacridine is sourced from PubChem (CID 140937115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).