16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine

C62H43FN2O2 — CID 118027820

About 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine

16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine (PubChem CID 118027820) has the molecular formula C62H43FN2O2 and a molecular weight of 867.04 g/mol. Its IUPAC name is 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine.

Molecular Properties

• Compound Name: 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine
• PubChem CID: 118027820
• Molecular Formula: C62H43FN2O2
• Molecular Weight: 867.04 g/mol
• Exact Mass: 866.33
• IUPAC Name: 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine
• SMILES: C/C=C\C=C/CN(c1ccc2c(c1)Oc1ccc3c4c(ccc-2c14)Oc1cc(N(c2ccccc2)c2c(F)cc(-c4ccccc4)cc2-c2ccccc2)ccc1-3)c1ccc2ccccc2c1
• InChI: InChI=1S/C62H43FN2O2/c1-2-3-4-16-35-64(47-26-25-42-19-14-15-22-44(42)36-47)48-27-29-50-52-31-34-57-61-53(32-33-56(60(52)61)66-58(50)39-48)51-30-28-49(40-59(51)67-57)65(46-23-12-7-13-24-46)62-54(43-20-10-6-11-21-43)37-45(38-55(62)63)41-17-8-5-9-18-41/h2-34,36-40H,35H2,1H3/b3-2-,16-4-
• InChIKey: GNRURJHHQWFQPR-YRPVOXHGSA-N
• XLogP: 17.75
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.04
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine?

The IUPAC name of 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine (CID 118027820) is 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine.

What is the SMILES notation for 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine?

The canonical SMILES for 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine is C/C=C\C=C/CN(c1ccc2c(c1)Oc1ccc3c4c(ccc-2c14)Oc1cc(N(c2ccccc2)c2c(F)cc(-c4ccccc4)cc2-c2ccccc2)ccc1-3)c1ccc2ccccc2c1.

What is the InChIKey of 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine?

The InChIKey is GNRURJHHQWFQPR-YRPVOXHGSA-N. The full InChI is InChI=1S/C62H43FN2O2/c1-2-3-4-16-35-64(47-26-25-42-19-14-15-22-44(42)36-47)48-27-29-50-52-31-34-57-61-53(32-33-56(60(52)61)66-58(50)39-48)51-30-28-49(40-59(51)67-57)65(46-23-12-7-13-24-46)62-54(43-20-10-6-11-21-43)37-45(38-55(62)63)41-17-8-5-9-18-41/h2-34,36-40H,35H2,1H3/b3-2-,16-4-.

What are the key properties of 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine?

16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine has a molecular weight of 867.04 g/mol, XLogP of 17.75, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 16-N-(2-fluoro-4,6-diphenylphenyl)-5-N-[(2Z,4Z)-hexa-2,4-dienyl]-5-N-naphthalen-2-yl-16-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine is sourced from PubChem (CID 118027820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).