18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine

C70H45FN2O — CID 121476585

About 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine

18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine (PubChem CID 121476585) has the molecular formula C70H45FN2O and a molecular weight of 949.14 g/mol. Its IUPAC name is 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine.

Molecular Properties

• Compound Name: 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
• PubChem CID: 121476585
• Molecular Formula: C70H45FN2O
• Molecular Weight: 949.14 g/mol
• Exact Mass: 948.35
• IUPAC Name: 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
• SMILES: Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc2c(c1)c1ccccc1c1c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3ccc21)c1ccccc1-c1ccccc1
• InChI: InChI=1S/C70H45FN2O/c71-64-44-50(46-20-5-1-6-21-46)43-62(48-24-9-3-10-25-48)69(64)73(65-33-17-15-28-54(65)47-22-7-2-8-23-47)53-38-41-57-60-39-36-49-42-52(37-40-55(49)68(60)59-31-14-13-29-56(59)63(57)45-53)72(51-26-11-4-12-27-51)66-34-19-32-61-58-30-16-18-35-67(58)74-70(61)66/h1-45H
• InChIKey: HCYXQJHEYJLEIL-UHFFFAOYSA-N
• XLogP: 20.28
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.14
LogP ≤ 5	20.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?

The IUPAC name of 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine (CID 121476585) is 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine.

What is the SMILES notation for 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?

The canonical SMILES for 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccc2c(c1)c1ccccc1c1c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3ccc21)c1ccccc1-c1ccccc1.

What is the InChIKey of 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?

The InChIKey is HCYXQJHEYJLEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45FN2O/c71-64-44-50(46-20-5-1-6-21-46)43-62(48-24-9-3-10-25-48)69(64)73(65-33-17-15-28-54(65)47-22-7-2-8-23-47)53-38-41-57-60-39-36-49-42-52(37-40-55(49)68(60)59-31-14-13-29-56(59)63(57)45-53)72(51-26-11-4-12-27-51)66-34-19-32-61-58-30-16-18-35-67(58)74-70(61)66/h1-45H.

What are the key properties of 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?

18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine has a molecular weight of 949.14 g/mol, XLogP of 20.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine is sourced from PubChem (CID 121476585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).