tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide

C144H147N23Na4O23S7 — CID 165111171

IUPACtetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESC.C/N=N/c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.CCCN(CCO)S(=O)(=O)c1ccc(/N=N/C)cc1.CCN(CC)S(=O)(=O)c1ccc(/N=N/C)cc1.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.Cc1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4cc(Nc5ccccc5)ccc4c3O)cc2C)cc1.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C31H27N5O4S.3C25H23N3O4S.C14H15N3O2S.C12H19N3O3S.C11H17N3O2S.CH4.4Na/c1-19-9-11-24(12-10-19)33-34-27-15-21(3)28(16-20(27)2)35-36-30-29(41(38,39)40)18-22-17-25(13-14-26(22)31(30)37)32-23-7-5-4-6-8-23;3*1-15-11-17(3)22(12-16(15)2)27-28-24-23(33(30,31)32)14-18-13-20(9-10-21(18)25(24)29)26-19-7-5-4-6-8-19;1-11-3-5-13(6-4-11)17-20(18,19)14-9-7-12(8-10-14)16-15-2;1-3-8-15(9-10-16)19(17,18)12-6-4-11(5-7-12)14-13-2;1-4-14(5-2)17(15,16)11-8-6-10(7-9-11)13-12-3;;;;;/h4-18,32,37H,1-3H3,(H,38,39,40);3*4-14,26,29H,1-3H3,(H,30,31,32);3-10,17H,1-2H3;4-7,16H,3,8-10H2,1-2H3;6-9H,4-5H2,1-3H3;1H4;;;;/q;;;;;;;;4*+1/p-4/b34-33+,36-35+;3*28-27+;16-15+;14-13+;13-12+;;;;;
InChIKeyZYXCWJILCIQBNA-PTUPSOKCSA-J
MW2884.33 g/mol
LogP24.94
Rot. Bonds38

About tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide

tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 165111171) has the molecular formula C144H147N23Na4O23S7 and a molecular weight of 2884.33 g/mol. Its IUPAC name is tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Nametetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide
PubChem CID165111171
Molecular FormulaC144H147N23Na4O23S7
Molecular Weight2884.33 g/mol
Exact Mass2881.87
IUPAC Nametetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESC.C/N=N/c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.CCCN(CCO)S(=O)(=O)c1ccc(/N=N/C)cc1.CCN(CC)S(=O)(=O)c1ccc(/N=N/C)cc1.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.Cc1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4cc(Nc5ccccc5)ccc4c3O)cc2C)cc1.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C31H27N5O4S.3C25H23N3O4S.C14H15N3O2S.C12H19N3O3S.C11H17N3O2S.CH4.4Na/c1-19-9-11-24(12-10-19)33-34-27-15-21(3)28(16-20(27)2)35-36-30-29(41(38,39)40)18-22-17-25(13-14-26(22)31(30)37)32-23-7-5-4-6-8-23;3*1-15-11-17(3)22(12-16(15)2)27-28-24-23(33(30,31)32)14-18-13-20(9-10-21(18)25(24)29)26-19-7-5-4-6-8-19;1-11-3-5-13(6-4-11)17-20(18,19)14-9-7-12(8-10-14)16-15-2;1-3-8-15(9-10-16)19(17,18)12-6-4-11(5-7-12)14-13-2;1-4-14(5-2)17(15,16)11-8-6-10(7-9-11)13-12-3;;;;;/h4-18,32,37H,1-3H3,(H,38,39,40);3*4-14,26,29H,1-3H3,(H,30,31,32);3-10,17H,1-2H3;4-7,16H,3,8-10H2,1-2H3;6-9H,4-5H2,1-3H3;1H4;;;;/q;;;;;;;;4*+1/p-4/b34-33+,36-35+;3*28-27+;16-15+;14-13+;13-12+;;;;;
InChIKeyZYXCWJILCIQBNA-PTUPSOKCSA-J
XLogP24.94
TPSA696.76 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds38
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002884.33
LogP ≤ 524.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide with MolForge

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Related Compounds

trisodium;bis(7-anilino-3-[(2,5-dimethoxy-4-methylphenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide;bis(N-methyl-4-(methyldiazenyl)benzenesulfonamide)
CID 158230298
trisodium;7-anilino-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;bis(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate);methane
CID 159153381
7-anilino-3-[[2,5-dimethoxy-4-[[4-(methylsulfamoyl)phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 137126017
7-anilino-4-hydroxy-3-[[4-[[4-[3-[2-(2-hydroxyethoxy)ethoxy]propylsulfamoyl]phenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-2-sulfonic acid
CID 137302216
hexasodium;5-acetamido-3-[[2,5-dimethyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;tris(7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate);7-anilino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[4-[(4-methylphenyl)methylsulfonyl]phenyl]diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate;sulfur trioxide
CID 162204196
dodecasodium;5-amino-3-[[4-[[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;5-amino-3-[[2,5-dimethoxy-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate;tetrakis(5-amino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxy-7H-naphthalen-7-ide-2-sulfonate);hexakis(sulfur trioxide)
CID 161159741
7-anilino-3-[[4-[(4-ethylsulfonylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 157424812
4-[[4-[[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 136606748
4-[[4-[[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 137200917
4-[[4-[[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2,6-dimethylphenyl]diazenyl]-2-methylphenyl]diazenyl]benzene-1,3-disulfonic acid
CID 137280045
7-[[4-[[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-5-hydroxy-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid
CID 137280027
7-anilino-3-[[4-[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136703371

Frequently Asked Questions

What is the IUPAC name of tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide (CID 165111171) is tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide is C.C/N=N/c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.CCCN(CCO)S(=O)(=O)c1ccc(/N=N/C)cc1.CCN(CC)S(=O)(=O)c1ccc(/N=N/C)cc1.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.Cc1cc(C)c(/N=N/c2c(S(=O)(=O)[O-])cc3cc(Nc4ccccc4)ccc3c2O)cc1C.Cc1ccc(/N=N/c2cc(C)c(/N=N/c3c(S(=O)(=O)[O-])cc4cc(Nc5ccccc5)ccc4c3O)cc2C)cc1.[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is ZYXCWJILCIQBNA-PTUPSOKCSA-J. The full InChI is InChI=1S/C31H27N5O4S.3C25H23N3O4S.C14H15N3O2S.C12H19N3O3S.C11H17N3O2S.CH4.4Na/c1-19-9-11-24(12-10-19)33-34-27-15-21(3)28(16-20(27)2)35-36-30-29(41(38,39)40)18-22-17-25(13-14-26(22)31(30)37)32-23-7-5-4-6-8-23;3*1-15-11-17(3)22(12-16(15)2)27-28-24-23(33(30,31)32)14-18-13-20(9-10-21(18)25(24)29)26-19-7-5-4-6-8-19;1-11-3-5-13(6-4-11)17-20(18,19)14-9-7-12(8-10-14)16-15-2;1-3-8-15(9-10-16)19(17,18)12-6-4-11(5-7-12)14-13-2;1-4-14(5-2)17(15,16)11-8-6-10(7-9-11)13-12-3;;;;;/h4-18,32,37H,1-3H3,(H,38,39,40);3*4-14,26,29H,1-3H3,(H,30,31,32);3-10,17H,1-2H3;4-7,16H,3,8-10H2,1-2H3;6-9H,4-5H2,1-3H3;1H4;;;;/q;;;;;;;;4*+1/p-4/b34-33+,36-35+;3*28-27+;16-15+;14-13+;13-12+;;;;;.
What are the key properties of tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide?
tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 2884.33 g/mol, XLogP of 24.94, 38 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;7-anilino-3-[[2,5-dimethyl-4-[(4-methylphenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate;tris(7-anilino-4-hydroxy-3-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2-sulfonate);N,N-diethyl-4-(methyldiazenyl)benzenesulfonamide;N-(2-hydroxyethyl)-4-(methyldiazenyl)-N-propylbenzenesulfonamide;methane;4-(methyldiazenyl)-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 165111171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).