8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide)

C159H120N26O51S17 — CID 161242841

IUPAC8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide)
SMILESCc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2ccc(S(=O)(=O)O)cc12.Cc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2ccc(S(=O)(=O)O)cc12.Cc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2ccccc12.Cc1cccc2c(/N=N/c3ccc(/N=N/c4ccccc4)c4ccccc34)ccc(N)c12.Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.O=S(=O)(O)c1cc(/N=N/c2ccccc2)ccc1/N=N/c1ccc(Cc2ccccc2)c2c(S(=O)(=O)O)cccc12.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C29H22N4O6S2.C27H21N5.2C27H20N4O3S.C27H20N4.C22H17N5O9S3.10O3S/c34-40(35,36)27-13-7-12-24-25(16-14-21(29(24)27)18-20-8-3-1-4-9-20)32-33-26-17-15-23(19-28(26)41(37,38)39)31-30-22-10-5-2-6-11-22;1-18-8-7-13-22-26(15-14-23(28)27(18)22)32-31-25-17-16-24(20-11-5-6-12-21(20)25)30-29-19-9-3-2-4-10-19;2*1-18-11-14-25(23-13-12-20(17-24(18)23)35(32,33)34)30-31-27-16-15-26(21-9-5-6-10-22(21)27)29-28-19-7-3-2-4-8-19;1-19-15-16-25(22-12-6-5-11-21(19)22)30-31-27-18-17-26(23-13-7-8-14-24(23)27)29-28-20-9-3-2-4-10-20;23-17-9-11-18(16-2-1-3-20(22(16)17)38(31,32)33)26-27-19-10-6-14(12-21(19)39(34,35)36)25-24-13-4-7-15(8-5-13)37(28,29)30;10*1-4(2)3/h1-17,19H,18H2,(H,34,35,36)(H,37,38,39);2-17H,28H2,1H3;2*2-17H,1H3,(H,32,33,34);2-18H,1H3;1-12H,23H2,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;;/b31-30+,33-32+;30-29+,32-31+;3*29-28+,31-30+;25-24+,27-26+;;;;;;;;;;
InChIKeyVAFXQACZMIZLJR-BYAFOEHBSA-N
MW3755.98 g/mol
LogP37.31
Rot. Bonds33

About 8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide)

8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide) (PubChem CID 161242841) has the molecular formula C159H120N26O51S17 and a molecular weight of 3755.98 g/mol. Its IUPAC name is 8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide).

Molecular Properties

Compound Name8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide)
PubChem CID161242841
Molecular FormulaC159H120N26O51S17
Molecular Weight3755.98 g/mol
Exact Mass3752.28
IUPAC Name8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide)
SMILESCc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2ccc(S(=O)(=O)O)cc12.Cc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2ccc(S(=O)(=O)O)cc12.Cc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2ccccc12.Cc1cccc2c(/N=N/c3ccc(/N=N/c4ccccc4)c4ccccc34)ccc(N)c12.Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.O=S(=O)(O)c1cc(/N=N/c2ccccc2)ccc1/N=N/c1ccc(Cc2ccccc2)c2c(S(=O)(=O)O)cccc12.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C29H22N4O6S2.C27H21N5.2C27H20N4O3S.C27H20N4.C22H17N5O9S3.10O3S/c34-40(35,36)27-13-7-12-24-25(16-14-21(29(24)27)18-20-8-3-1-4-9-20)32-33-26-17-15-23(19-28(26)41(37,38)39)31-30-22-10-5-2-6-11-22;1-18-8-7-13-22-26(15-14-23(28)27(18)22)32-31-25-17-16-24(20-11-5-6-12-21(20)25)30-29-19-9-3-2-4-10-19;2*1-18-11-14-25(23-13-12-20(17-24(18)23)35(32,33)34)30-31-27-16-15-26(21-9-5-6-10-22(21)27)29-28-19-7-3-2-4-8-19;1-19-15-16-25(22-12-6-5-11-21(19)22)30-31-27-18-17-26(23-13-7-8-14-24(23)27)29-28-20-9-3-2-4-10-20;23-17-9-11-18(16-2-1-3-20(22(16)17)38(31,32)33)26-27-19-10-6-14(12-21(19)39(34,35)36)25-24-13-4-7-15(8-5-13)37(28,29)30;10*1-4(2)3/h1-17,19H,18H2,(H,34,35,36)(H,37,38,39);2-17H,28H2,1H3;2*2-17H,1H3,(H,32,33,34);2-18H,1H3;1-12H,23H2,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;;/b31-30+,33-32+;30-29+,32-31+;3*29-28+,31-30+;25-24+,27-26+;;;;;;;;;;
InChIKeyVAFXQACZMIZLJR-BYAFOEHBSA-N
XLogP37.31
TPSA1241.37 Ų
H-Bond Donors9
H-Bond Acceptors70
Rotatable Bonds33
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003755.98
LogP ≤ 537.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1070

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 8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(4-aminonaphthalen-1-yl)diazenyl]-5-phenyldiazenylnaphthalene-2-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;8-anilino-5-[[4-(naphthalen-1-yldiazenyl)-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;decakis(sulfur trioxide)
CID 161262136
8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide
CID 158523650
5-amino-8-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 88888450
3-[[4-[(4-amino-2-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid;sulfur trioxide
CID 158495842
8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
CID 148653145
8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87409528
8-amino-4-hydroxy-5-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid;sulfur trioxide
CID 163748081
8-methyl-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 122680887
8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 162697049
3-[[4-[[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]phenyl]methyl]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]amino]propanoic acid;bis(sulfur trioxide)
CID 159164977
CID 170845569
CID 170845569
5-amino-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87411050

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide)?
The IUPAC name of 8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide) (CID 161242841) is 8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide).
What is the SMILES notation for 8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide)?
The canonical SMILES for 8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide) is Cc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2ccc(S(=O)(=O)O)cc12.Cc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2ccc(S(=O)(=O)O)cc12.Cc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)c3ccccc23)c2ccccc12.Cc1cccc2c(/N=N/c3ccc(/N=N/c4ccccc4)c4ccccc34)ccc(N)c12.Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.O=S(=O)(O)c1cc(/N=N/c2ccccc2)ccc1/N=N/c1ccc(Cc2ccccc2)c2c(S(=O)(=O)O)cccc12.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide)?
The InChIKey is VAFXQACZMIZLJR-BYAFOEHBSA-N. The full InChI is InChI=1S/C29H22N4O6S2.C27H21N5.2C27H20N4O3S.C27H20N4.C22H17N5O9S3.10O3S/c34-40(35,36)27-13-7-12-24-25(16-14-21(29(24)27)18-20-8-3-1-4-9-20)32-33-26-17-15-23(19-28(26)41(37,38)39)31-30-22-10-5-2-6-11-22;1-18-8-7-13-22-26(15-14-23(28)27(18)22)32-31-25-17-16-24(20-11-5-6-12-21(20)25)30-29-19-9-3-2-4-10-19;2*1-18-11-14-25(23-13-12-20(17-24(18)23)35(32,33)34)30-31-27-16-15-26(21-9-5-6-10-22(21)27)29-28-19-7-3-2-4-8-19;1-19-15-16-25(22-12-6-5-11-21(19)22)30-31-27-18-17-26(23-13-7-8-14-24(23)27)29-28-20-9-3-2-4-10-20;23-17-9-11-18(16-2-1-3-20(22(16)17)38(31,32)33)26-27-19-10-6-14(12-21(19)39(34,35)36)25-24-13-4-7-15(8-5-13)37(28,29)30;10*1-4(2)3/h1-17,19H,18H2,(H,34,35,36)(H,37,38,39);2-17H,28H2,1H3;2*2-17H,1H3,(H,32,33,34);2-18H,1H3;1-12H,23H2,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;;;/b31-30+,33-32+;30-29+,32-31+;3*29-28+,31-30+;25-24+,27-26+;;;;;;;;;;.
What are the key properties of 8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide)?
8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide) has a molecular weight of 3755.98 g/mol, XLogP of 37.31, 33 rotatable bonds, 9 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide) is sourced from PubChem (CID 161242841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).