hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate)

C204H176N30Na6O40S12 — CID 160731884

About hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate)

hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate) (PubChem CID 160731884) has the molecular formula C204H176N30Na6O40S12 and a molecular weight of 4210.57 g/mol. Its IUPAC name is hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate).

Molecular Properties

• Compound Name: hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate)
• PubChem CID: 160731884
• Molecular Formula: C204H176N30Na6O40S12
• Molecular Weight: 4210.57 g/mol
• Exact Mass: 4206.87
• IUPAC Name: hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate)
• SMILES: CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4cc(Nc5ccccc5)ccc4c3O)cc2C)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4cc(Nc5ccccc5)ccc4c3O)cc2C)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4cc(Nc5ccccc5)ccc4c3O)cc2C)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(OC)c(/N=N/c3c(S(=O)(=O)[O-])cc4cc(Nc5ccccc5)ccc4c3O)cc2OC)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)c(OC)cc1/N=N/c1ccc(S(=O)(=O)Cc2ccc(C)cc2)cc1.Cc1ccc(CS(=O)(=O)c2ccc(/N=N/c3cc(C)c(/N=N/c4c(S(=O)(=O)[O-])cc5cc(Nc6ccccc6)ccc5c4O)cc3C)cc2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C38H33N5O8S2.C38H33N5O6S2.C32H29N5O8S2.3C32H29N5O6S2.6Na/c1-24-9-11-25(12-10-24)23-52(45,46)30-16-13-28(14-17-30)40-41-32-21-35(51-3)33(22-34(32)50-2)42-43-37-36(53(47,48)49)20-26-19-29(15-18-31(26)38(37)44)39-27-7-5-4-6-8-27;1-24-9-11-27(12-10-24)23-50(45,46)32-16-13-30(14-17-32)40-41-34-19-26(3)35(20-25(34)2)42-43-37-36(51(47,48)49)22-28-21-31(15-18-33(28)38(37)44)39-29-7-5-4-6-8-29;1-4-46(39,40)24-13-10-22(11-14-24)34-35-26-18-29(45-3)27(19-28(26)44-2)36-37-31-30(47(41,42)43)17-20-16-23(12-15-25(20)32(31)38)33-21-8-6-5-7-9-21;3*1-4-44(39,40)26-13-10-24(11-14-26)34-35-28-16-21(3)29(17-20(28)2)36-37-31-30(45(41,42)43)19-22-18-25(12-15-27(22)32(31)38)33-23-8-6-5-7-9-23;;;;;;/h4-22,39,44H,23H2,1-3H3,(H,47,48,49);4-22,39,44H,23H2,1-3H3,(H,47,48,49);5-19,33,38H,4H2,1-3H3,(H,41,42,43);3*5-19,33,38H,4H2,1-3H3,(H,41,42,43);;;;;;/q;;;;;;6*+1/p-6/b2*41-40+,43-42+;4*35-34+,37-36+
• InChIKey: RULJENSYJUUZBI-OAUQFYRDSA-H
• XLogP: 34.41
• TPSA: 1075.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 70
• Rotatable Bonds: 60
• Heavy Atoms: 292
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4210.57
LogP ≤ 5	34.41
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	70

Frequently Asked Questions

What is the IUPAC name of hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate)?

The IUPAC name of hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate) (CID 160731884) is hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate).

What is the SMILES notation for hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate)?

The canonical SMILES for hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate) is CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4cc(Nc5ccccc5)ccc4c3O)cc2C)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4cc(Nc5ccccc5)ccc4c3O)cc2C)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4cc(Nc5ccccc5)ccc4c3O)cc2C)cc1.CCS(=O)(=O)c1ccc(/N=N/c2cc(OC)c(/N=N/c3c(S(=O)(=O)[O-])cc4cc(Nc5ccccc5)ccc4c3O)cc2OC)cc1.COc1cc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)c(OC)cc1/N=N/c1ccc(S(=O)(=O)Cc2ccc(C)cc2)cc1.Cc1ccc(CS(=O)(=O)c2ccc(/N=N/c3cc(C)c(/N=N/c4c(S(=O)(=O)[O-])cc5cc(Nc6ccccc6)ccc5c4O)cc3C)cc2)cc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate)?

The InChIKey is RULJENSYJUUZBI-OAUQFYRDSA-H. The full InChI is InChI=1S/C38H33N5O8S2.C38H33N5O6S2.C32H29N5O8S2.3C32H29N5O6S2.6Na/c1-24-9-11-25(12-10-24)23-52(45,46)30-16-13-28(14-17-30)40-41-32-21-35(51-3)33(22-34(32)50-2)42-43-37-36(53(47,48)49)20-26-19-29(15-18-31(26)38(37)44)39-27-7-5-4-6-8-27;1-24-9-11-27(12-10-24)23-50(45,46)32-16-13-30(14-17-32)40-41-34-19-26(3)35(20-25(34)2)42-43-37-36(51(47,48)49)22-28-21-31(15-18-33(28)38(37)44)39-29-7-5-4-6-8-29;1-4-46(39,40)24-13-10-22(11-14-24)34-35-26-18-29(45-3)27(19-28(26)44-2)36-37-31-30(47(41,42)43)17-20-16-23(12-15-25(20)32(31)38)33-21-8-6-5-7-9-21;3*1-4-44(39,40)26-13-10-24(11-14-26)34-35-28-16-21(3)29(17-20(28)2)36-37-31-30(45(41,42)43)19-22-18-25(12-15-27(22)32(31)38)33-23-8-6-5-7-9-23;;;;;;/h4-22,39,44H,23H2,1-3H3,(H,47,48,49);4-22,39,44H,23H2,1-3H3,(H,47,48,49);5-19,33,38H,4H2,1-3H3,(H,41,42,43);3*5-19,33,38H,4H2,1-3H3,(H,41,42,43);;;;;;/q;;;;;;6*+1/p-6/b2*41-40+,43-42+;4*35-34+,37-36+;;;;;;.

What are the key properties of hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate)?

hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate) has a molecular weight of 4210.57 g/mol, XLogP of 34.41, 60 rotatable bonds, 12 hydrogen bond donors, and 70 hydrogen bond acceptors.

Where does this data come from?

All data for hexasodium;7-anilino-3-[[2,5-dimethoxy-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate) is sourced from PubChem (CID 160731884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).