N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine

C60H40N2O2Si — CID 149206200

About N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine (PubChem CID 149206200) has the molecular formula C60H40N2O2Si and a molecular weight of 849.08 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine
• PubChem CID: 149206200
• Molecular Formula: C60H40N2O2Si
• Molecular Weight: 849.08 g/mol
• Exact Mass: 848.29
• IUPAC Name: N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine
• SMILES: c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)cc32)cc1
• InChI: InChI=1S/C60H40N2O2Si/c1-4-16-43(17-5-1)62-53-24-12-15-27-59(53)65(47-18-6-2-7-19-47,48-20-8-3-9-21-48)60-37-30-42(38-54(60)62)41-28-31-44(32-29-41)61(45-33-35-51-49-22-10-13-25-55(49)63-57(51)39-45)46-34-36-52-50-23-11-14-26-56(50)64-58(52)40-46/h1-40H
• InChIKey: XFQSDPJLAITHNL-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 N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine?

The IUPAC name of N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine (CID 149206200) is N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine.

What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine?

The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine is c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)cc4)cc32)cc1.

What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine?

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

What are the key properties of N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine?

N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-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 N-dibenzofuran-3-yl-N-[4-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 149206200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).