N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine

C59H43BFNO — CID 140727349

About N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine

N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine (PubChem CID 140727349) has the molecular formula C59H43BFNO and a molecular weight of 811.81 g/mol. Its IUPAC name is N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine.

Molecular Properties

• Compound Name: N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine
• PubChem CID: 140727349
• Molecular Formula: C59H43BFNO
• Molecular Weight: 811.81 g/mol
• Exact Mass: 811.34
• IUPAC Name: N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine
• SMILES: Cc1cc(C)c(B(c2cccc3ccccc23)c2ccc3c4c(cccc24)Oc2cc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc2-3)c(C)c1
• InChI: InChI=1S/C59H43BFNO/c1-38-33-39(2)58(40(3)34-38)60(52-27-15-22-42-21-13-14-25-47(42)52)53-32-31-49-48-30-29-46(37-56(48)63-55-28-16-26-50(53)57(49)55)62(45-23-11-6-12-24-45)59-51(43-19-9-5-10-20-43)35-44(36-54(59)61)41-17-7-4-8-18-41/h4-37H,1-3H3
• InChIKey: PGBNBRTVIRZONH-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.81
LogP ≤ 5	14.15
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 N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine?

The IUPAC name of N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine (CID 140727349) is N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine.

What is the SMILES notation for N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine?

The canonical SMILES for N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine is Cc1cc(C)c(B(c2cccc3ccccc23)c2ccc3c4c(cccc24)Oc2cc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc2-3)c(C)c1.

What is the InChIKey of N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine?

The InChIKey is PGBNBRTVIRZONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43BFNO/c1-38-33-39(2)58(40(3)34-38)60(52-27-15-22-42-21-13-14-25-47(42)52)53-32-31-49-48-30-29-46(37-56(48)63-55-28-16-26-50(53)57(49)55)62(45-23-11-6-12-24-45)59-51(43-19-9-5-10-20-43)35-44(36-54(59)61)41-17-7-4-8-18-41/h4-37H,1-3H3.

What are the key properties of N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine?

N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine has a molecular weight of 811.81 g/mol, XLogP of 14.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-4,6-diphenylphenyl)-14-[naphthalen-1-yl-(2,4,6-trimethylphenyl)boranyl]-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine is sourced from PubChem (CID 140727349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).