4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

C72H66N18O27S8 — CID 136658587

IUPAC4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESCc1ccc(/N=N/c2c(C)cc3cc(S(=O)(=O)O)c(/N=N/c4cc(N)ccc4S(=O)(=O)O)c(N)c3c2O)c(S(=O)(=O)O)c1.Cc1ccc(/N=N/c2c(C)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc(N)cc4S(=O)(=O)O)c(N)c3c2O)c(S(=O)(=O)O)c1.Cc1ccc(/N=N/c2c(C)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc(N)cc4S(=O)(=O)O)c(N)c3c2O)cc1
InChIInChI=1S/2C24H22N6O10S3.C24H22N6O7S2/c1-11-3-5-15(18(7-11)42(35,36)37)27-29-22-12(2)8-13-9-19(43(38,39)40)23(21(26)20(13)24(22)31)30-28-16-10-14(25)4-6-17(16)41(32,33)34;1-11-3-5-15(17(7-11)41(32,33)34)27-29-22-12(2)8-13-9-19(43(38,39)40)23(21(26)20(13)24(22)31)30-28-16-6-4-14(25)10-18(16)42(35,36)37;1-12-3-6-16(7-4-12)27-29-22-13(2)9-14-10-19(39(35,36)37)23(21(26)20(14)24(22)31)30-28-17-8-5-15(25)11-18(17)38(32,33)34/h2*3-10,31H,25-26H2,1-2H3,(H,32,33,34)(H,35,36,37)(H,38,39,40);3-11,31H,25-26H2,1-2H3,(H,32,33,34)(H,35,36,37)/b3*29-27+,30-28+
InChIKeyPEZBEXVLEFOHIV-GDESUXRZSA-N
MW1871.95 g/mol
LogP15.45
Rot. Bonds20

About 4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid

4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (PubChem CID 136658587) has the molecular formula C72H66N18O27S8 and a molecular weight of 1871.95 g/mol. Its IUPAC name is 4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
PubChem CID136658587
Molecular FormulaC72H66N18O27S8
Molecular Weight1871.95 g/mol
Exact Mass1870.21
IUPAC Name4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESCc1ccc(/N=N/c2c(C)cc3cc(S(=O)(=O)O)c(/N=N/c4cc(N)ccc4S(=O)(=O)O)c(N)c3c2O)c(S(=O)(=O)O)c1.Cc1ccc(/N=N/c2c(C)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc(N)cc4S(=O)(=O)O)c(N)c3c2O)c(S(=O)(=O)O)c1.Cc1ccc(/N=N/c2c(C)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc(N)cc4S(=O)(=O)O)c(N)c3c2O)cc1
InChIInChI=1S/2C24H22N6O10S3.C24H22N6O7S2/c1-11-3-5-15(18(7-11)42(35,36)37)27-29-22-12(2)8-13-9-19(43(38,39)40)23(21(26)20(13)24(22)31)30-28-16-10-14(25)4-6-17(16)41(32,33)34;1-11-3-5-15(17(7-11)41(32,33)34)27-29-22-12(2)8-13-9-19(43(38,39)40)23(21(26)20(13)24(22)31)30-28-16-6-4-14(25)10-18(16)42(35,36)37;1-12-3-6-16(7-4-12)27-29-22-13(2)9-14-10-19(39(35,36)37)23(21(26)20(14)24(22)31)30-28-17-8-5-15(25)11-18(17)38(32,33)34/h2*3-10,31H,25-26H2,1-2H3,(H,32,33,34)(H,35,36,37)(H,38,39,40);3-11,31H,25-26H2,1-2H3,(H,32,33,34)(H,35,36,37)/b3*29-27+,30-28+
InChIKeyPEZBEXVLEFOHIV-GDESUXRZSA-N
XLogP15.45
TPSA800.09 Ų
H-Bond Donors17
H-Bond Acceptors37
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001871.95
LogP ≤ 515.45
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid with MolForge

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Related Compounds

4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135723137
4-amino-3,6-bis[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 135437239
5-amino-3-[[5-fluoro-4-[(4-methylphenyl)diazenyl]-2-sulfophenyl]diazenyl]-6-[(5-fluoro-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 136653779
4-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 148671111
5-amino-3-[(4-aminophenyl)diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 147506897
4-amino-3-[[4-[(4-amino-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]-5-hydroxy-6-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 135853970
2-[(6,7-diamino-1-hydroxy-3-methylnaphthalen-2-yl)diazenyl]-5-methylbenzenesulfonic acid;hydrate
CID 157271428
CID 170854187
CID 170854187
5-amino-6-[(2-chloro-4-methyl-6-sulfophenyl)diazenyl]-3-[(2,5-dimethylphenyl)diazenyl]-4-hydroxy-7-methylnaphthalene-2-sulfonic acid
CID 135714491
4-amino-5-hydroxy-6-[(3-methylphenyl)diazenyl]-3-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;sulfur trioxide
CID 137117806
2-[(1-hydroxy-3,6-dimethylnaphthalen-2-yl)diazenyl]-5-methylbenzenesulfonic acid
CID 135714424
4-amino-3,6-bis[[4-[(2,4-diamino-5-sulfophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 135848712

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The IUPAC name of 4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid (CID 136658587) is 4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.
What is the SMILES notation for 4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The canonical SMILES for 4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is Cc1ccc(/N=N/c2c(C)cc3cc(S(=O)(=O)O)c(/N=N/c4cc(N)ccc4S(=O)(=O)O)c(N)c3c2O)c(S(=O)(=O)O)c1.Cc1ccc(/N=N/c2c(C)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc(N)cc4S(=O)(=O)O)c(N)c3c2O)c(S(=O)(=O)O)c1.Cc1ccc(/N=N/c2c(C)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc(N)cc4S(=O)(=O)O)c(N)c3c2O)cc1.
What is the InChIKey of 4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
The InChIKey is PEZBEXVLEFOHIV-GDESUXRZSA-N. The full InChI is InChI=1S/2C24H22N6O10S3.C24H22N6O7S2/c1-11-3-5-15(18(7-11)42(35,36)37)27-29-22-12(2)8-13-9-19(43(38,39)40)23(21(26)20(13)24(22)31)30-28-16-10-14(25)4-6-17(16)41(32,33)34;1-11-3-5-15(17(7-11)41(32,33)34)27-29-22-12(2)8-13-9-19(43(38,39)40)23(21(26)20(13)24(22)31)30-28-16-6-4-14(25)10-18(16)42(35,36)37;1-12-3-6-16(7-4-12)27-29-22-13(2)9-14-10-19(39(35,36)37)23(21(26)20(14)24(22)31)30-28-17-8-5-15(25)11-18(17)38(32,33)34/h2*3-10,31H,25-26H2,1-2H3,(H,32,33,34)(H,35,36,37)(H,38,39,40);3-11,31H,25-26H2,1-2H3,(H,32,33,34)(H,35,36,37)/b3*29-27+,30-28+.
What are the key properties of 4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid?
4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid has a molecular weight of 1871.95 g/mol, XLogP of 15.45, 20 rotatable bonds, 17 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(4-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;4-amino-3-[(5-amino-2-sulfophenyl)diazenyl]-5-hydroxy-7-methyl-6-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is sourced from PubChem (CID 136658587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).