(4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate

C206H213N25O29 — CID 159094900

About (4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate

(4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate (PubChem CID 159094900) has the molecular formula C206H213N25O29 and a molecular weight of 3503.12 g/mol. Its IUPAC name is (4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate.

Molecular Properties

• Compound Name: (4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
• PubChem CID: 159094900
• Molecular Formula: C206H213N25O29
• Molecular Weight: 3503.12 g/mol
• Exact Mass: 3500.60
• IUPAC Name: (4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
• SMILES: CCC(=O)Oc1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1.CCCCN(CCCC)c1ccc(/N=N/c2ccc(OC(=O)c3ccc(C(=O)OCC)cc3)cc2)cc1.CCCCOC(=O)c1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(CC)CC)cc3)cc2)cc1.CCCCOc1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1.CCOC(=O)c1ccc(C(=O)Cc2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1.CCOC(=O)c1ccc(NC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1.CCOC(=O)c1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1.CCOC(=O)c1ccc(OC(=O)c2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2)cc1
• InChI: InChI=1S/C30H35N3O4.C28H31N3O4.C26H25N3O4.C25H25N3O3.C25H27N3O3.C24H24N4O3.2C24H23N3O4/c1-4-7-21-33(22-8-5-2)27-17-13-25(14-18-27)31-32-26-15-19-28(20-16-26)37-30(35)24-11-9-23(10-12-24)29(34)36-6-3;1-4-7-20-34-27(32)21-10-18-26(19-11-21)35-28(33)22-8-12-23(13-9-22)29-30-24-14-16-25(17-15-24)31(5-2)6-3;1-2-32-25(30)19-7-15-24(16-8-19)33-26(31)20-5-9-21(10-6-20)27-28-22-11-13-23(14-12-22)29-17-3-4-18-29;1-4-31-25(30)20-9-7-19(8-10-20)24(29)17-18-5-11-21(12-6-18)26-27-22-13-15-23(16-14-22)28(2)3;1-4-5-18-30-23-14-16-24(17-15-23)31-25(29)19-6-8-20(9-7-19)26-27-21-10-12-22(13-11-21)28(2)3;1-4-31-24(30)18-7-9-19(10-8-18)25-23(29)17-5-11-20(12-6-17)26-27-21-13-15-22(16-14-21)28(2)3;1-4-30-23(28)17-7-15-22(16-8-17)31-24(29)18-5-9-19(10-6-18)25-26-20-11-13-21(14-12-20)27(2)3;1-4-23(28)30-21-13-15-22(16-14-21)31-24(29)17-5-7-18(8-6-17)25-26-19-9-11-20(12-10-19)27(2)3/h9-20H,4-8,21-22H2,1-3H3;8-19H,4-7,20H2,1-3H3;5-16H,2-4,17-18H2,1H3;5-16H,4,17H2,1-3H3;6-17H,4-5,18H2,1-3H3;5-16H,4H2,1-3H3,(H,25,29);2*5-16H,4H2,1-3H3/b32-31+;30-29+;28-27+;3*27-26+;2*26-25+
• InChIKey: KCNSZSIAOWNRBK-NNYSMXLFSA-N
• XLogP: 50.33
• TPSA: 620.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 53
• Rotatable Bonds: 69
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3503.12
LogP ≤ 5	50.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	53

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-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate?

The IUPAC name of (4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate (CID 159094900) is (4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate.

What is the SMILES notation for (4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate?

The canonical SMILES for (4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate is CCC(=O)Oc1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1.CCCCN(CCCC)c1ccc(/N=N/c2ccc(OC(=O)c3ccc(C(=O)OCC)cc3)cc2)cc1.CCCCOC(=O)c1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(CC)CC)cc3)cc2)cc1.CCCCOc1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1.CCOC(=O)c1ccc(C(=O)Cc2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1.CCOC(=O)c1ccc(NC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1.CCOC(=O)c1ccc(OC(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)cc1.CCOC(=O)c1ccc(OC(=O)c2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2)cc1.

What is the InChIKey of (4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate?

The InChIKey is KCNSZSIAOWNRBK-NNYSMXLFSA-N. The full InChI is InChI=1S/C30H35N3O4.C28H31N3O4.C26H25N3O4.C25H25N3O3.C25H27N3O3.C24H24N4O3.2C24H23N3O4/c1-4-7-21-33(22-8-5-2)27-17-13-25(14-18-27)31-32-26-15-19-28(20-16-26)37-30(35)24-11-9-23(10-12-24)29(34)36-6-3;1-4-7-20-34-27(32)21-10-18-26(19-11-21)35-28(33)22-8-12-23(13-9-22)29-30-24-14-16-25(17-15-24)31(5-2)6-3;1-2-32-25(30)19-7-15-24(16-8-19)33-26(31)20-5-9-21(10-6-20)27-28-22-11-13-23(14-12-22)29-17-3-4-18-29;1-4-31-25(30)20-9-7-19(8-10-20)24(29)17-18-5-11-21(12-6-18)26-27-22-13-15-23(16-14-22)28(2)3;1-4-5-18-30-23-14-16-24(17-15-23)31-25(29)19-6-8-20(9-7-19)26-27-21-10-12-22(13-11-21)28(2)3;1-4-31-24(30)18-7-9-19(10-8-18)25-23(29)17-5-11-20(12-6-17)26-27-21-13-15-22(16-14-21)28(2)3;1-4-30-23(28)17-7-15-22(16-8-17)31-24(29)18-5-9-19(10-6-18)25-26-20-11-13-21(14-12-20)27(2)3;1-4-23(28)30-21-13-15-22(16-14-21)31-24(29)17-5-7-18(8-6-17)25-26-19-9-11-20(12-10-19)27(2)3/h9-20H,4-8,21-22H2,1-3H3;8-19H,4-7,20H2,1-3H3;5-16H,2-4,17-18H2,1H3;5-16H,4,17H2,1-3H3;6-17H,4-5,18H2,1-3H3;5-16H,4H2,1-3H3,(H,25,29);2*5-16H,4H2,1-3H3/b32-31+;30-29+;28-27+;3*27-26+;2*26-25+.

What are the key properties of (4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate?

(4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate has a molecular weight of 3503.12 g/mol, XLogP of 50.33, 69 rotatable bonds, 1 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for (4-butoxycarbonylphenyl) 4-[[4-(diethylamino)phenyl]diazenyl]benzoate;(4-butoxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;4-O-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl] 1-O-ethyl benzene-1,4-dicarboxylate;(4-ethoxycarbonylphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate;(4-ethoxycarbonylphenyl) 4-[(4-pyrrolidin-1-ylphenyl)diazenyl]benzoate;ethyl 4-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]benzoate;ethyl 4-[2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]acetyl]benzoate;(4-propanoyloxyphenyl) 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate is sourced from PubChem (CID 159094900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).