C184H214Cl4N30O16 — CID 159672556
5-butoxy-2-[[4-[4-[4-[(4-butoxy-2-hydroxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenol;(4-butoxy-2-chlorophenyl)-[4-[4-[4-[(4-butoxy-2-chlorophenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[3-chloro-4-[[4-[4-[4-[[2-chloro-4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol;(4-hexoxyphenyl)-[4-[4-[4-[(4-hexoxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[4-[[4-[4-[4-[[4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol (PubChem CID 159672556) has the molecular formula C184H214Cl4N30O16 and a molecular weight of 3243.74 g/mol. Its IUPAC name is 5-butoxy-2-[[4-[4-[4-[(4-butoxy-2-hydroxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenol;(4-butoxy-2-chlorophenyl)-[4-[4-[4-[(4-butoxy-2-chlorophenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[3-chloro-4-[[4-[4-[4-[[2-chloro-4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol;(4-hexoxyphenyl)-[4-[4-[4-[(4-hexoxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[4-[[4-[4-[4-[[4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol.
| Compound Name | 5-butoxy-2-[[4-[4-[4-[(4-butoxy-2-hydroxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenol;(4-butoxy-2-chlorophenyl)-[4-[4-[4-[(4-butoxy-2-chlorophenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[3-chloro-4-[[4-[4-[4-[[2-chloro-4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol;(4-hexoxyphenyl)-[4-[4-[4-[(4-hexoxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[4-[[4-[4-[4-[[4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol |
|---|---|
| PubChem CID | 159672556 |
| Molecular Formula | C184H214Cl4N30O16 |
| Molecular Weight | 3243.74 g/mol |
| Exact Mass | 3239.56 |
| IUPAC Name | 5-butoxy-2-[[4-[4-[4-[(4-butoxy-2-hydroxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenol;(4-butoxy-2-chlorophenyl)-[4-[4-[4-[(4-butoxy-2-chlorophenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[3-chloro-4-[[4-[4-[4-[[2-chloro-4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol;(4-hexoxyphenyl)-[4-[4-[4-[(4-hexoxyphenyl)diazenyl]phenyl]piperazin-1-yl]phenyl]diazene;4-[4-[[4-[4-[4-[[4-(4-hydroxybutoxy)phenyl]diazenyl]phenyl]piperazin-1-yl]phenyl]diazenyl]phenoxy]butan-1-ol |
| SMILES | CCCCCCOc1ccc(/N=N/c2ccc(N3CCN(c4ccc(/N=N/c5ccc(OCCCCCC)cc5)cc4)CC3)cc2)cc1.CCCCOc1ccc(/N=N/c2ccc(N3CCN(c4ccc(/N=N/c5ccc(OCCCC)cc5Cl)cc4)CC3)cc2)c(Cl)c1.CCCCOc1ccc(/N=N/c2ccc(N3CCN(c4ccc(/N=N/c5ccc(OCCCC)cc5O)cc4)CC3)cc2)c(O)c1.OCCCCOc1ccc(/N=N/c2ccc(N3CCN(c4ccc(/N=N/c5ccc(OCCCCO)cc5)cc4)CC3)cc2)cc1.OCCCCOc1ccc(/N=N/c2ccc(N3CCN(c4ccc(/N=N/c5ccc(OCCCCO)cc5Cl)cc4)CC3)cc2)c(Cl)c1 |
| InChI | InChI=1S/C40H50N6O2.C36H40Cl2N6O4.C36H40Cl2N6O2.2C36H42N6O4/c1-3-5-7-9-31-47-39-23-15-35(16-24-39)43-41-33-11-19-37(20-12-33)45-27-29-46(30-28-45)38-21-13-34(14-22-38)42-44-36-17-25-40(26-18-36)48-32-10-8-6-4-2;37-33-25-31(47-23-3-1-21-45)13-15-35(33)41-39-27-5-9-29(10-6-27)43-17-19-44(20-18-43)30-11-7-28(8-12-30)40-42-36-16-14-32(26-34(36)38)48-24-4-2-22-46;1-3-5-23-45-31-15-17-35(33(37)25-31)41-39-27-7-11-29(12-8-27)43-19-21-44(22-20-43)30-13-9-28(10-14-30)40-42-36-18-16-32(26-34(36)38)46-24-6-4-2;43-25-1-3-27-45-35-17-9-31(10-18-35)39-37-29-5-13-33(14-6-29)41-21-23-42(24-22-41)34-15-7-30(8-16-34)38-40-32-11-19-36(20-12-32)46-28-4-2-26-44;1-3-5-23-45-31-15-17-33(35(43)25-31)39-37-27-7-11-29(12-8-27)41-19-21-42(22-20-41)30-13-9-28(10-14-30)38-40-34-18-16-32(26-36(34)44)46-24-6-4-2/h11-26H,3-10,27-32H2,1-2H3;5-16,25-26,45-46H,1-4,17-24H2;7-18,25-26H,3-6,19-24H2,1-2H3;5-20,43-44H,1-4,21-28H2;7-18,25-26,43-44H,3-6,19-24H2,1-2H3/b43-41+,44-42+;2*41-39+,42-40+;2*39-37+,40-38+ |
| InChIKey | MUEJUPZHXACYJD-SPNULPTBSA-N |
| XLogP | 50.48 |
| TPSA | 493.28 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 78 |
| Heavy Atoms | 234 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3243.74 |
| LogP ≤ 5 | 50.48 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 46 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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