C143H94N25Na7O27S7 — CID 160610457
heptasodium;7-amino-4-hydroxy-3-[[4-[(8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]-7-oxidoperoxysulfanylnaphthalen-1-yl]diazenyl]naphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate;5-[[10-[(8-aminonaphthalen-2-yl)diazenyl]anthracen-9-yl]diazenyl]naphthalene-1-sulfonate;2-[[4-[(8-aminonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-nitrophenol;7-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate (PubChem CID 160610457) has the molecular formula C143H94N25Na7O27S7 and a molecular weight of 2979.87 g/mol. Its IUPAC name is heptasodium;7-amino-4-hydroxy-3-[[4-[(8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]-7-oxidoperoxysulfanylnaphthalen-1-yl]diazenyl]naphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate;5-[[10-[(8-aminonaphthalen-2-yl)diazenyl]anthracen-9-yl]diazenyl]naphthalene-1-sulfonate;2-[[4-[(8-aminonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-nitrophenol;7-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate.
| Compound Name | heptasodium;7-amino-4-hydroxy-3-[[4-[(8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]-7-oxidoperoxysulfanylnaphthalen-1-yl]diazenyl]naphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate;5-[[10-[(8-aminonaphthalen-2-yl)diazenyl]anthracen-9-yl]diazenyl]naphthalene-1-sulfonate;2-[[4-[(8-aminonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-nitrophenol;7-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate |
|---|---|
| PubChem CID | 160610457 |
| Molecular Formula | C143H94N25Na7O27S7 |
| Molecular Weight | 2979.87 g/mol |
| Exact Mass | 2977.41 |
| IUPAC Name | heptasodium;7-amino-4-hydroxy-3-[[4-[(8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]-7-oxidoperoxysulfanylnaphthalen-1-yl]diazenyl]naphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate;5-[[10-[(8-aminonaphthalen-2-yl)diazenyl]anthracen-9-yl]diazenyl]naphthalene-1-sulfonate;2-[[4-[(8-aminonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-nitrophenol;7-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate |
| SMILES | Cc1ccc(/N=N/c2ccc(/N=N/c3ccc4cc(SOO[O-])cc(S(=O)(=O)[O-])c4c3)c3ccccc23)cc1.Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4cccc5cc(S(=O)(=O)[O-])cc(O)c45)c4ccc(SOO[O-])cc34)c(S(=O)(=O)[O-])cc2c1.Nc1ccc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(/N=N/c4ccccc4)c4ccccc34)c(O)c2c1.Nc1cccc2ccc(/N=N/c3c4ccccc4c(/N=N/c4cccc5c(S(=O)(=O)[O-])cccc45)c4ccccc34)cc12.Nc1cccc2ccc(/N=N/c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4O)c4ccccc34)cc12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChI | InChI=1S/C34H23N5O3S.C30H21N5O11S3.C27H20N4O6S2.C26H18N6O3.C26H19N5O4S.7Na/c35-30-15-5-8-21-18-19-22(20-29(21)30)36-38-33-25-9-1-3-11-27(25)34(28-12-4-2-10-26(28)33)39-37-31-16-6-14-24-23(31)13-7-17-32(24)43(40,41)42;31-17-4-6-20-16(10-17)12-27(49(42,43)44)29(30(20)37)35-33-24-9-8-23(21-7-5-18(13-22(21)24)47-46-45-38)32-34-25-3-1-2-15-11-19(48(39,40)41)14-26(36)28(15)25;1-17-6-9-19(10-7-17)28-30-25-12-13-26(23-5-3-2-4-22(23)25)31-29-20-11-8-18-14-21(38-37-36-32)16-27(24(18)15-20)39(33,34)35;27-22-7-3-4-16-8-9-17(14-21(16)22)28-29-23-12-13-24(20-6-2-1-5-19(20)23)30-31-25-11-10-18(32(34)35)15-26(25)33;27-17-11-10-16-14-24(36(33,34)35)25(26(32)21(16)15-17)31-30-23-13-12-22(19-8-4-5-9-20(19)23)29-28-18-6-2-1-3-7-18;;;;;;;/h1-20H,35H2,(H,40,41,42);1-14,36-38H,31H2,(H,39,40,41)(H,42,43,44);2-16,32H,1H3,(H,33,34,35);1-15,33H,27H2;1-15,32H,27H2,(H,33,34,35);;;;;;;/q;;;;;7*+1/p-7/b38-36+,39-37+;34-32+,35-33+;30-28+,31-29+;2*29-28+,31-30+;;;;;;; |
| InChIKey | RFLIIBRUZIJNCZ-XPAUCTNOSA-G |
| XLogP | 16.96 |
| TPSA | 844.38 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 209 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2979.87 |
| LogP ≤ 5 | 16.96 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 53 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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