[4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate

C197H226F7N21O17 — CID 167574875

About [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate

[4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate (PubChem CID 167574875) has the molecular formula C197H226F7N21O17 and a molecular weight of 3293.09 g/mol. Its IUPAC name is [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate.

Molecular Properties

• Compound Name: [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate
• PubChem CID: 167574875
• Molecular Formula: C197H226F7N21O17
• Molecular Weight: 3293.09 g/mol
• Exact Mass: 3290.74
• IUPAC Name: [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate
• SMILES: CCCCCCCCOc1ccc(C(=O)Oc2ccc(/N=N/c3ccc(N(CC)CC)cc3)cc2F)cc1.CCCCCCCCOc1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)c(F)c1.CCCCCCCCOc1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1F.CCCCCCOC(=O)c1ccc(-c2ccc(/N=N/c3ccc(N(C)C)cc3)c(F)c2)cc1.CCCCCCOC(=O)c1ccc(-c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)c(F)c1.CCCCCCOC(=O)c1ccc(-c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1F.CCCCCCOC(=O)c1ccc(-c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2F)cc1
• InChI: InChI=1S/C31H38FN3O3.2C29H34FN3O3.4C27H30FN3O2/c1-4-7-8-9-10-11-22-37-28-19-12-24(13-20-28)31(36)38-30-21-16-26(23-29(30)32)34-33-25-14-17-27(18-15-25)35(5-2)6-3;1-4-5-6-7-8-9-20-35-28-19-18-26(21-27(28)30)36-29(34)22-10-12-23(13-11-22)31-32-24-14-16-25(17-15-24)33(2)3;1-4-5-6-7-8-9-20-35-26-18-19-28(27(30)21-26)36-29(34)22-10-12-23(13-11-22)31-32-24-14-16-25(17-15-24)33(2)3;1-4-5-6-7-18-33-27(32)21-10-17-25(26(28)19-21)20-8-11-22(12-9-20)29-30-23-13-15-24(16-14-23)31(2)3;1-4-5-6-7-18-33-27(32)25-17-10-21(19-26(25)28)20-8-11-22(12-9-20)29-30-23-13-15-24(16-14-23)31(2)3;1-4-5-6-7-18-33-27(32)21-10-8-20(9-11-21)22-12-17-26(25(28)19-22)30-29-23-13-15-24(16-14-23)31(2)3;1-4-5-6-7-18-33-27(32)21-10-8-20(9-11-21)25-17-14-23(19-26(25)28)30-29-22-12-15-24(16-13-22)31(2)3/h12-21,23H,4-11,22H2,1-3H3;2*10-19,21H,4-9,20H2,1-3H3;4*8-17,19H,4-7,18H2,1-3H3/b34-33+;2*32-31+;4*30-29+
• InChIKey: GJVVONULCISGIR-XUFPBSJVSA-N
• XLogP: 56.42
• TPSA: 407.51 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 81
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3293.09
LogP ≤ 5	56.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate?

The IUPAC name of [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate (CID 167574875) is [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate.

What is the SMILES notation for [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate?

The canonical SMILES for [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate is CCCCCCCCOc1ccc(C(=O)Oc2ccc(/N=N/c3ccc(N(CC)CC)cc3)cc2F)cc1.CCCCCCCCOc1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)c(F)c1.CCCCCCCCOc1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1F.CCCCCCOC(=O)c1ccc(-c2ccc(/N=N/c3ccc(N(C)C)cc3)c(F)c2)cc1.CCCCCCOC(=O)c1ccc(-c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)c(F)c1.CCCCCCOC(=O)c1ccc(-c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1F.CCCCCCOC(=O)c1ccc(-c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2F)cc1.

What is the InChIKey of [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate?

The InChIKey is GJVVONULCISGIR-XUFPBSJVSA-N. The full InChI is InChI=1S/C31H38FN3O3.2C29H34FN3O3.4C27H30FN3O2/c1-4-7-8-9-10-11-22-37-28-19-12-24(13-20-28)31(36)38-30-21-16-26(23-29(30)32)34-33-25-14-17-27(18-15-25)35(5-2)6-3;1-4-5-6-7-8-9-20-35-28-19-18-26(21-27(28)30)36-29(34)22-10-12-23(13-11-22)31-32-24-14-16-25(17-15-24)33(2)3;1-4-5-6-7-8-9-20-35-26-18-19-28(27(30)21-26)36-29(34)22-10-12-23(13-11-22)31-32-24-14-16-25(17-15-24)33(2)3;1-4-5-6-7-18-33-27(32)21-10-17-25(26(28)19-21)20-8-11-22(12-9-20)29-30-23-13-15-24(16-14-23)31(2)3;1-4-5-6-7-18-33-27(32)25-17-10-21(19-26(25)28)20-8-11-22(12-9-20)29-30-23-13-15-24(16-14-23)31(2)3;1-4-5-6-7-18-33-27(32)21-10-8-20(9-11-21)22-12-17-26(25(28)19-22)30-29-23-13-15-24(16-14-23)31(2)3;1-4-5-6-7-18-33-27(32)21-10-8-20(9-11-21)25-17-14-23(19-26(25)28)30-29-22-12-15-24(16-13-22)31(2)3/h12-21,23H,4-11,22H2,1-3H3;2*10-19,21H,4-9,20H2,1-3H3;4*8-17,19H,4-7,18H2,1-3H3/b34-33+;2*32-31+;4*30-29+.

What are the key properties of [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate?

[4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate has a molecular weight of 3293.09 g/mol, XLogP of 56.42, 81 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-(diethylamino)phenyl]diazenyl]-2-fluorophenyl] 4-octoxybenzoate;(2-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(3-fluoro-4-octoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-2-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl]benzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-fluorobenzoate;hexyl 4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-3-fluorobenzoate is sourced from PubChem (CID 167574875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).