5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

C74H47FN2O2 — CID 121295898

About 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (PubChem CID 121295898) has the molecular formula C74H47FN2O2 and a molecular weight of 1015.20 g/mol. Its IUPAC name is 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

Molecular Properties

• Compound Name: 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• PubChem CID: 121295898
• Molecular Formula: C74H47FN2O2
• Molecular Weight: 1015.20 g/mol
• Exact Mass: 1014.36
• IUPAC Name: 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• SMILES: Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc2cc3c4c(cccc4c2c1)Oc1cc(N(c2ccccc2-c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3)c1ccccc1-c1ccccc1
• InChI: InChI=1S/C74H47FN2O2/c75-65-45-53(48-21-5-1-6-22-48)44-63(51-27-11-4-12-28-51)73(65)77(67-35-17-14-30-57(67)50-25-9-3-10-26-50)54-40-39-52-43-64-59-42-41-55(47-71(59)78-70-38-20-32-60(72(64)70)62(52)46-54)76(66-34-16-13-29-56(66)49-23-7-2-8-24-49)68-36-19-33-61-58-31-15-18-37-69(58)79-74(61)68/h1-47H
• InChIKey: HZTNNHKPFPKXET-UHFFFAOYSA-N
• XLogP: 21.41
• TPSA: 28.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.20
LogP ≤ 5	21.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The IUPAC name of 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (CID 121295898) is 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

What is the SMILES notation for 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The canonical SMILES for 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc2cc3c4c(cccc4c2c1)Oc1cc(N(c2ccccc2-c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3)c1ccccc1-c1ccccc1.

What is the InChIKey of 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The InChIKey is HZTNNHKPFPKXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47FN2O2/c75-65-45-53(48-21-5-1-6-22-48)44-63(51-27-11-4-12-28-51)73(65)77(67-35-17-14-30-57(67)50-25-9-3-10-26-50)54-40-39-52-43-64-59-42-41-55(47-71(59)78-70-38-20-32-60(72(64)70)62(52)46-54)76(66-34-16-13-29-56(66)49-23-7-2-8-24-49)68-36-19-33-61-58-31-15-18-37-69(58)79-74(61)68/h1-47H.

What are the key properties of 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine has a molecular weight of 1015.20 g/mol, XLogP of 21.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-dibenzofuran-4-yl-16-N-(2-fluoro-4,6-diphenylphenyl)-5-N,16-N-bis(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is sourced from PubChem (CID 121295898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).