disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate

C34H25N11Na2O13S3 — CID 139596668

IUPACdisodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate
SMILESNc1ccc(/N=N/c2ccc(NS(=O)(=O)c3ccc(/N=N/c4c(OS(=O)(=O)[O-])cc5cc(OS(=O)(=O)[O-])c(/N=N/c6ccc([N+](=O)[O-])cc6)c(N)c5c4O)cc3)cc2)c(N)c1.[Na+].[Na+]
InChIInChI=1S/C34H27N11O13S3.2Na/c35-19-1-14-27(26(36)17-19)41-38-20-2-4-23(5-3-20)44-59(49,50)25-12-8-22(9-13-25)40-43-33-29(58-61(54,55)56)16-18-15-28(57-60(51,52)53)32(31(37)30(18)34(33)46)42-39-21-6-10-24(11-7-21)45(47)48;;/h1-17,44,46H,35-37H2,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2/b41-38+,42-39+,43-40+;;
InChIKeyPRYHDPRSNSPPCI-NWJPNFKVSA-L
MW937.82 g/mol
LogP0.93
Rot. Bonds14

About disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate

disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate (PubChem CID 139596668) has the molecular formula C34H25N11Na2O13S3 and a molecular weight of 937.82 g/mol. Its IUPAC name is disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate.

Molecular Properties

Compound Namedisodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate
PubChem CID139596668
Molecular FormulaC34H25N11Na2O13S3
Molecular Weight937.82 g/mol
Exact Mass937.06
IUPAC Namedisodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate
SMILESNc1ccc(/N=N/c2ccc(NS(=O)(=O)c3ccc(/N=N/c4c(OS(=O)(=O)[O-])cc5cc(OS(=O)(=O)[O-])c(/N=N/c6ccc([N+](=O)[O-])cc6)c(N)c5c4O)cc3)cc2)c(N)c1.[Na+].[Na+]
InChIInChI=1S/C34H27N11O13S3.2Na/c35-19-1-14-27(26(36)17-19)41-38-20-2-4-23(5-3-20)44-59(49,50)25-12-8-22(9-13-25)40-43-33-29(58-61(54,55)56)16-18-15-28(57-60(51,52)53)32(31(37)30(18)34(33)46)42-39-21-6-10-24(11-7-21)45(47)48;;/h1-17,44,46H,35-37H2,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2/b41-38+,42-39+,43-40+;;
InChIKeyPRYHDPRSNSPPCI-NWJPNFKVSA-L
XLogP0.93
TPSA394.62 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.82
LogP ≤ 50.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate with MolForge

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Related Compounds

potassium;sodium;5-amino-3-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-4-hydroxy-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
CID 135853860
5-amino-3-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-4-hydroxy-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid;2,6-difluoro-N-[3-(methyldiazenyl)phenyl]pyrimidin-4-amine;sulfur trioxide
CID 136595001
disodium;4-amino-5-hydroxy-3,6-bis[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
CID 135666467
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-aminophenyl)diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
CID 148671111
4-amino-3-[[4-[[4-[[8-amino-1-hydroxy-5-sulfo-7-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-6-[(4-nitrophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 89317396
ACID BLACK 41 (C.I. 20480)
CID 137228286
disodium;5-amino-4-hydroxy-3-[(2-methylphenyl)diazenyl]-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
CID 135755687
disodium;4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-6-[(2-phenoxyphenyl)diazenyl]naphthalene-2,7-disulfonate
CID 135666562
sodium 5-amino-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 135422237
CID 170844336
CID 170844336
CID 170854187
CID 170854187

Frequently Asked Questions

What is the IUPAC name of disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate?
The IUPAC name of disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate (CID 139596668) is disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate.
What is the SMILES notation for disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate?
The canonical SMILES for disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate is Nc1ccc(/N=N/c2ccc(NS(=O)(=O)c3ccc(/N=N/c4c(OS(=O)(=O)[O-])cc5cc(OS(=O)(=O)[O-])c(/N=N/c6ccc([N+](=O)[O-])cc6)c(N)c5c4O)cc3)cc2)c(N)c1.[Na+].[Na+].
What is the InChIKey of disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate?
The InChIKey is PRYHDPRSNSPPCI-NWJPNFKVSA-L. The full InChI is InChI=1S/C34H27N11O13S3.2Na/c35-19-1-14-27(26(36)17-19)41-38-20-2-4-23(5-3-20)44-59(49,50)25-12-8-22(9-13-25)40-43-33-29(58-61(54,55)56)16-18-15-28(57-60(51,52)53)32(31(37)30(18)34(33)46)42-39-21-6-10-24(11-7-21)45(47)48;;/h1-17,44,46H,35-37H2,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2/b41-38+,42-39+,43-40+;;.
What are the key properties of disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate?
disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate has a molecular weight of 937.82 g/mol, XLogP of 0.93, 14 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[4-amino-6-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-7-sulfonatooxynaphthalen-2-yl] sulfate is sourced from PubChem (CID 139596668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).