10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine

C60H40N2O2Si — CID 148982605

About 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine

10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine (PubChem CID 148982605) has the molecular formula C60H40N2O2Si and a molecular weight of 849.08 g/mol. Its IUPAC name is 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine.

Molecular Properties

• Compound Name: 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
• PubChem CID: 148982605
• Molecular Formula: C60H40N2O2Si
• Molecular Weight: 849.08 g/mol
• Exact Mass: 848.29
• IUPAC Name: 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si](c3ccc5c(c3)oc3ccccc35)(c3ccc5c(c3)oc3ccccc35)c3ccccc3N4c3ccccc3)cc2)cc1
• InChI: InChI=1S/C60H40N2O2Si/c1-4-16-41(17-5-1)42-28-30-45(31-29-42)61(43-18-6-2-7-19-43)46-32-37-54-60(38-46)65(47-33-35-51-49-22-10-13-25-55(49)63-57(51)39-47,48-34-36-52-50-23-11-14-26-56(50)64-58(52)40-48)59-27-15-12-24-53(59)62(54)44-20-8-3-9-21-44/h1-40H
• InChIKey: PWANRWLVQQVYQW-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.08
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?

The IUPAC name of 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine (CID 148982605) is 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine.

What is the SMILES notation for 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?

The canonical SMILES for 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)[Si](c3ccc5c(c3)oc3ccccc35)(c3ccc5c(c3)oc3ccccc35)c3ccccc3N4c3ccccc3)cc2)cc1.

What is the InChIKey of 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?

The InChIKey is PWANRWLVQQVYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O2Si/c1-4-16-41(17-5-1)42-28-30-45(31-29-42)61(43-18-6-2-7-19-43)46-32-37-54-60(38-46)65(47-33-35-51-49-22-10-13-25-55(49)63-57(51)39-47,48-34-36-52-50-23-11-14-26-56(50)64-58(52)40-48)59-27-15-12-24-53(59)62(54)44-20-8-3-9-21-44/h1-40H.

What are the key properties of 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine?

10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine has a molecular weight of 849.08 g/mol, XLogP of 13.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-di(dibenzofuran-3-yl)-N,5-diphenyl-N-(4-phenylphenyl)benzo[b][1,4]benzazasilin-2-amine is sourced from PubChem (CID 148982605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).