6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine

C180H133B3FN3O3 — CID 159788341

About 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine

6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine (PubChem CID 159788341) has the molecular formula C180H133B3FN3O3 and a molecular weight of 2437.50 g/mol. Its IUPAC name is 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine.

Molecular Properties

• Compound Name: 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine
• PubChem CID: 159788341
• Molecular Formula: C180H133B3FN3O3
• Molecular Weight: 2437.50 g/mol
• Exact Mass: 2436.06
• IUPAC Name: 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine
• SMILES: CC(C)(C)c1cc(B(c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)(C)C)cc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)c4ccc1c2c43.Cc1cc(C)c(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3ccc4c(B(c5c(C)cccc5C)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c(C)c1.Cc1ccccc1B(c1ccc2ccc3c(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc4ccc1c2c43)c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C62H50BNO.C59H39BFNO.C59H44BNO/c1-61(2,3)51-37-54(63(40-21-9-7-10-22-40)53-30-19-29-46-45-28-17-18-31-57(45)65-60(46)53)49-34-32-48-52(62(4,5)6)38-56(50-35-33-47(51)58(49)59(48)50)64(41-23-11-8-12-24-41)55-36-39-20-13-14-25-42(39)43-26-15-16-27-44(43)55;1-38-16-11-13-25-50(38)60(52-26-15-24-46-45-23-12-14-27-55(45)63-59(46)52)51-34-30-41-29-33-48-54(35-31-42-28-32-47(51)56(41)57(42)48)62(44-21-9-4-10-22-44)58-49(40-19-7-3-8-20-40)36-43(37-53(58)61)39-17-5-2-6-18-39;1-35-32-38(4)58(39(5)33-35)61(44-26-29-46-43(34-44)21-20-40-14-6-7-15-45(40)46)53-31-25-42-22-27-49-51(30-24-41-23-28-50(53)56(42)55(41)49)60(57-36(2)12-10-13-37(57)3)52-18-11-17-48-47-16-8-9-19-54(47)62-59(48)52/h7-38H,1-6H3;2-37H,1H3;6-34H,1-5H3
• InChIKey: NIFXEXMGNSQRIN-UHFFFAOYSA-N
• XLogP: 43.94
• TPSA: 49.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2437.50
LogP ≤ 5	43.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine?

The IUPAC name of 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine (CID 159788341) is 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine.

What is the SMILES notation for 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine?

The canonical SMILES for 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine is CC(C)(C)c1cc(B(c2ccccc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)(C)C)cc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)c4ccc1c2c43.Cc1cc(C)c(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3ccc4c(B(c5c(C)cccc5C)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c(C)c1.Cc1ccccc1B(c1ccc2ccc3c(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)ccc4ccc1c2c43)c1cccc2c1oc1ccccc12.

What is the InChIKey of 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine?

The InChIKey is NIFXEXMGNSQRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50BNO.C59H39BFNO.C59H44BNO/c1-61(2,3)51-37-54(63(40-21-9-7-10-22-40)53-30-19-29-46-45-28-17-18-31-57(45)65-60(46)53)49-34-32-48-52(62(4,5)6)38-56(50-35-33-47(51)58(49)59(48)50)64(41-23-11-8-12-24-41)55-36-39-20-13-14-25-42(39)43-26-15-16-27-44(43)55;1-38-16-11-13-25-50(38)60(52-26-15-24-46-45-23-12-14-27-55(45)63-59(46)52)51-34-30-41-29-33-48-54(35-31-42-28-32-47(51)56(41)57(42)48)62(44-21-9-4-10-22-44)58-49(40-19-7-3-8-20-40)36-43(37-53(58)61)39-17-5-2-6-18-39;1-35-32-38(4)58(39(5)33-35)61(44-26-29-46-43(34-44)21-20-40-14-6-7-15-45(40)46)53-31-25-42-22-27-49-51(30-24-41-23-28-50(53)56(42)55(41)49)60(57-36(2)12-10-13-37(57)3)52-18-11-17-48-47-16-8-9-19-54(47)62-59(48)52/h7-38H,1-6H3;2-37H,1H3;6-34H,1-5H3.

What are the key properties of 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine?

6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine has a molecular weight of 2437.50 g/mol, XLogP of 43.94, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[dibenzofuran-4-yl-(2,6-dimethylphenyl)boranyl]-N-phenanthren-2-yl-N-(2,4,6-trimethylphenyl)pyren-1-amine;6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenylpyren-1-amine;3,8-ditert-butyl-6-[dibenzofuran-4-yl(phenyl)boranyl]-N-phenanthren-9-yl-N-phenylpyren-1-amine is sourced from PubChem (CID 159788341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).