4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate

C192H181F7N18O24 — CID 167648356

IUPAC4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
SMILESCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(/N=N/c4ccc(N(C)C)cc4)cc3)cc2F)cc1.CCCCCCCCOc1ccc(-c2ccc(OC(=O)c3ccc(/N=N/c4ccc(N(C)C)cc4)cc3)cc2F)cc1.CCOC(=O)c1ccc(-c2ccc(C(=O)Oc3ccc(/N=N/c4ccc(N(C)C)cc4)cc3)cc2)c(F)c1.CCOC(=O)c1ccc(-c2ccc(OC(=O)c3ccc(/N=N/c4ccc(N(C)C)cc4)c(F)c3)cc2)c(F)c1.CCOC(=O)c1ccc(C(=O)Oc2ccc(-c3ccc(/N=N/c4ccc(N(C)C)cc4)c(C)c3)cc2)c(F)c1.CCOC(=O)c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(/N=N/c4ccc(N(C)C)cc4)c(F)c3)cc2)cc1
InChIInChI=1S/2C35H38FN3O3.C31H26FN3O6.C31H28FN3O4.C30H25F2N3O4.C30H26FN3O4/c1-4-5-6-7-8-9-24-41-31-19-10-26(11-20-31)33-23-12-27(25-34(33)36)35(40)42-32-21-15-29(16-22-32)38-37-28-13-17-30(18-14-28)39(2)3;1-4-5-6-7-8-9-24-41-31-20-12-26(13-21-31)33-23-22-32(25-34(33)36)42-35(40)27-10-14-28(15-11-27)37-38-29-16-18-30(19-17-29)39(2)3;1-4-39-29(36)20-9-15-25(16-10-20)40-30(37)21-5-7-22(8-6-21)31(38)41-26-17-18-28(27(32)19-26)34-33-23-11-13-24(14-12-23)35(2)3;1-5-38-30(36)23-8-16-27(28(32)19-23)31(37)39-26-14-6-21(7-15-26)22-9-17-29(20(2)18-22)34-33-24-10-12-25(13-11-24)35(3)4;1-4-38-29(36)20-7-15-25(26(31)17-20)19-5-13-24(14-6-19)39-30(37)21-8-16-28(27(32)18-21)34-33-22-9-11-23(12-10-22)35(2)3;1-4-37-29(35)22-9-18-27(28(31)19-22)20-5-7-21(8-6-20)30(36)38-26-16-12-24(13-17-26)33-32-23-10-14-25(15-11-23)34(2)3/h2*10-23,25H,4-9,24H2,1-3H3;5-19H,4H2,1-3H3;6-19H,5H2,1-4H3;5-18H,4H2,1-3H3;5-19H,4H2,1-3H3/b2*38-37+;3*34-33+;33-32+
InChIKeyQEYXTKIQKRZOKQ-XZDSFBEJSA-N
MW3257.65 g/mol
LogP49.34
Rot. Bonds61

About 4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate

4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate (PubChem CID 167648356) has the molecular formula C192H181F7N18O24 and a molecular weight of 3257.65 g/mol. Its IUPAC name is 4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate.

Molecular Properties

Compound Name4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
PubChem CID167648356
Molecular FormulaC192H181F7N18O24
Molecular Weight3257.65 g/mol
Exact Mass3255.34
IUPAC Name4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
SMILESCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(/N=N/c4ccc(N(C)C)cc4)cc3)cc2F)cc1.CCCCCCCCOc1ccc(-c2ccc(OC(=O)c3ccc(/N=N/c4ccc(N(C)C)cc4)cc3)cc2F)cc1.CCOC(=O)c1ccc(-c2ccc(C(=O)Oc3ccc(/N=N/c4ccc(N(C)C)cc4)cc3)cc2)c(F)c1.CCOC(=O)c1ccc(-c2ccc(OC(=O)c3ccc(/N=N/c4ccc(N(C)C)cc4)c(F)c3)cc2)c(F)c1.CCOC(=O)c1ccc(C(=O)Oc2ccc(-c3ccc(/N=N/c4ccc(N(C)C)cc4)c(C)c3)cc2)c(F)c1.CCOC(=O)c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(/N=N/c4ccc(N(C)C)cc4)c(F)c3)cc2)cc1
InChIInChI=1S/2C35H38FN3O3.C31H26FN3O6.C31H28FN3O4.C30H25F2N3O4.C30H26FN3O4/c1-4-5-6-7-8-9-24-41-31-19-10-26(11-20-31)33-23-12-27(25-34(33)36)35(40)42-32-21-15-29(16-22-32)38-37-28-13-17-30(18-14-28)39(2)3;1-4-5-6-7-8-9-24-41-31-20-12-26(13-21-31)33-23-22-32(25-34(33)36)42-35(40)27-10-14-28(15-11-27)37-38-29-16-18-30(19-17-29)39(2)3;1-4-39-29(36)20-9-15-25(16-10-20)40-30(37)21-5-7-22(8-6-21)31(38)41-26-17-18-28(27(32)19-26)34-33-23-11-13-24(14-12-23)35(2)3;1-5-38-30(36)23-8-16-27(28(32)19-23)31(37)39-26-14-6-21(7-15-26)22-9-17-29(20(2)18-22)34-33-24-10-12-25(13-11-24)35(3)4;1-4-38-29(36)20-7-15-25(26(31)17-20)19-5-13-24(14-6-19)39-30(37)21-8-16-28(27(32)18-21)34-33-22-9-11-23(12-10-22)35(2)3;1-4-37-29(35)22-9-18-27(28(31)19-22)20-5-7-21(8-6-20)30(36)38-26-16-12-24(13-17-26)33-32-23-10-14-25(15-11-23)34(2)3/h2*10-23,25H,4-9,24H2,1-3H3;5-19H,4H2,1-3H3;6-19H,5H2,1-4H3;5-18H,4H2,1-3H3;5-19H,4H2,1-3H3/b2*38-37+;3*34-33+;33-32+
InChIKeyQEYXTKIQKRZOKQ-XZDSFBEJSA-N
XLogP49.34
TPSA475.52 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds61
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003257.65
LogP ≤ 549.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

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'}

Analyze 4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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
heptyl 4-[[4-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]diazenyl]-3-fluorophenyl]diazenyl]benzoate
CID 164843023
[4-[(4-methoxyphenyl)diazenyl]-3-methylphenyl] 4-octoxybenzoate
CID 102055157
[4-[4-[2-fluoro-4-[4-[9-[4-[3-fluoro-4-[4-[4-(3-fluoro-4-tetradecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenoxy]carbonylphenoxy]nonoxy]benzoyl]oxybenzoyl]oxyphenoxy]carbonylphenyl] 3-fluoro-4-tetradecoxybenzoate
CID 102090337
[3-methyl-4-(naphthalen-2-yldiazenyl)phenyl] 4-undecoxybenzoate
CID 101055780
[4-[(4-methylphenyl)diazenyl]phenyl] 4-tetradecoxybenzoate
CID 15421400
[3-(4-hexoxybenzoyl)oxy-4-[(4-methylphenyl)diazenyl]phenyl] 4-hexoxybenzoate
CID 101111452
[4-[(4-octoxyphenyl)diazenyl]phenyl] 4-dodecoxybenzoate
CID 102441423
[4-[4-[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl]-3-fluorophenoxy]carbonylphenyl] 4-dodecoxybenzoate
CID 102018098
[3-(4-butoxybenzoyl)oxy-4-[(4-dodecoxyphenyl)diazenyl]phenyl] 4-butoxybenzoate
CID 102521128
[3-chloro-4-[(4-fluorophenyl)diazenyl]phenyl] 4-octoxybenzoate
CID 102345235
[(2R)-octan-2-yl] 4-[4-(4-dodecoxyphenyl)benzoyl]oxy-2-fluorobenzoate
CID 100918551

Frequently Asked Questions

What is the IUPAC name of 4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate?
The IUPAC name of 4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate (CID 167648356) is 4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate.
What is the SMILES notation for 4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate?
The canonical SMILES for 4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate is CCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(/N=N/c4ccc(N(C)C)cc4)cc3)cc2F)cc1.CCCCCCCCOc1ccc(-c2ccc(OC(=O)c3ccc(/N=N/c4ccc(N(C)C)cc4)cc3)cc2F)cc1.CCOC(=O)c1ccc(-c2ccc(C(=O)Oc3ccc(/N=N/c4ccc(N(C)C)cc4)cc3)cc2)c(F)c1.CCOC(=O)c1ccc(-c2ccc(OC(=O)c3ccc(/N=N/c4ccc(N(C)C)cc4)c(F)c3)cc2)c(F)c1.CCOC(=O)c1ccc(C(=O)Oc2ccc(-c3ccc(/N=N/c4ccc(N(C)C)cc4)c(C)c3)cc2)c(F)c1.CCOC(=O)c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(/N=N/c4ccc(N(C)C)cc4)c(F)c3)cc2)cc1.
What is the InChIKey of 4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate?
The InChIKey is QEYXTKIQKRZOKQ-XZDSFBEJSA-N. The full InChI is InChI=1S/2C35H38FN3O3.C31H26FN3O6.C31H28FN3O4.C30H25F2N3O4.C30H26FN3O4/c1-4-5-6-7-8-9-24-41-31-19-10-26(11-20-31)33-23-12-27(25-34(33)36)35(40)42-32-21-15-29(16-22-32)38-37-28-13-17-30(18-14-28)39(2)3;1-4-5-6-7-8-9-24-41-31-20-12-26(13-21-31)33-23-22-32(25-34(33)36)42-35(40)27-10-14-28(15-11-27)37-38-29-16-18-30(19-17-29)39(2)3;1-4-39-29(36)20-9-15-25(16-10-20)40-30(37)21-5-7-22(8-6-21)31(38)41-26-17-18-28(27(32)19-26)34-33-23-11-13-24(14-12-23)35(2)3;1-5-38-30(36)23-8-16-27(28(32)19-23)31(37)39-26-14-6-21(7-15-26)22-9-17-29(20(2)18-22)34-33-24-10-12-25(13-11-24)35(3)4;1-4-38-29(36)20-7-15-25(26(31)17-20)19-5-13-24(14-6-19)39-30(37)21-8-16-28(27(32)18-21)34-33-22-9-11-23(12-10-22)35(2)3;1-4-37-29(35)22-9-18-27(28(31)19-22)20-5-7-21(8-6-20)30(36)38-26-16-12-24(13-17-26)33-32-23-10-14-25(15-11-23)34(2)3/h2*10-23,25H,4-9,24H2,1-3H3;5-19H,4H2,1-3H3;6-19H,5H2,1-4H3;5-18H,4H2,1-3H3;5-19H,4H2,1-3H3/b2*38-37+;3*34-33+;33-32+.
What are the key properties of 4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate?
4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate has a molecular weight of 3257.65 g/mol, XLogP of 49.34, 61 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorophenyl] 1-O-(4-ethoxycarbonylphenyl) benzene-1,4-dicarboxylate;1-O-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-methylphenyl]phenyl] 4-O-ethyl 2-fluorobenzene-1,4-dicarboxylate;[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl] 3-fluoro-4-(4-octoxyphenyl)benzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]-3-fluorobenzoyl]oxyphenyl]-3-fluorobenzoate;ethyl 4-[4-[4-[[4-(dimethylamino)phenyl]diazenyl]phenoxy]carbonylphenyl]-3-fluorobenzoate;[3-fluoro-4-(4-octoxyphenyl)phenyl] 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate is sourced from PubChem (CID 167648356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).