5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid

C22H16N6O6S — CID 136634817

IUPAC5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid
SMILESNc1c(/N=N/c2ccc([N+](=O)[O-])cc2)ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c12
InChIInChI=1S/C22H16N6O6S/c23-20-17(26-24-15-7-9-16(10-8-15)28(30)31)11-6-13-12-18(35(32,33)34)21(22(29)19(13)20)27-25-14-4-2-1-3-5-14/h1-12,29H,23H2,(H,32,33,34)/b26-24+,27-25+
InChIKeyNLVMVAXXVLJMHC-OWUYFMIJSA-N
MW492.47 g/mol
LogP6.11
Rot. Bonds6

About 5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid

5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid (PubChem CID 136634817) has the molecular formula C22H16N6O6S and a molecular weight of 492.47 g/mol. Its IUPAC name is 5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid
PubChem CID136634817
Molecular FormulaC22H16N6O6S
Molecular Weight492.47 g/mol
Exact Mass492.09
IUPAC Name5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid
SMILESNc1c(/N=N/c2ccc([N+](=O)[O-])cc2)ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c12
InChIInChI=1S/C22H16N6O6S/c23-20-17(26-24-15-7-9-16(10-8-15)28(30)31)11-6-13-12-18(35(32,33)34)21(22(29)19(13)20)27-25-14-4-2-1-3-5-14/h1-12,29H,23H2,(H,32,33,34)/b26-24+,27-25+
InChIKeyNLVMVAXXVLJMHC-OWUYFMIJSA-N
XLogP6.11
TPSA193.20 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.47
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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 5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid 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

4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-6-phenyldiazenyl-7-sulfonaphthalene-2-sulfonate
CID 135465269
ACID BLACK 41 (C.I. 20480)
CID 137228286
sodium 5-amino-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 135422237
5-amino-4-hydroxy-3-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]diazenyl]-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 135422069
2-[[4-[4-[[8-amino-1-hydroxy-7-[(4-nitrophenyl)diazenyl]-3,6-disulfonaphthalen-2-yl]diazenyl]phenyl]phenyl]diazenyl]-5-hydroxybenzoic acid
CID 135968934
CID 137242219
CID 137242219
5-amino-4-hydroxy-3-[(3-methylphenyl)diazenyl]-6-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137095404
4-amino-5-hydroxy-3-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136934696
disodium;5-amino-4-hydroxy-3-[(2-methylphenyl)diazenyl]-6-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
CID 135755687
disodium;4-amino-5-hydroxy-3,6-bis[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonate
CID 135666467
4-amino-5-hydroxy-3-(methyldiazenyl)-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135854949
4-hydroxy-5-nitro-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136845587

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid?
The IUPAC name of 5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid (CID 136634817) is 5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid?
The canonical SMILES for 5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid is Nc1c(/N=N/c2ccc([N+](=O)[O-])cc2)ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c12.
What is the InChIKey of 5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid?
The InChIKey is NLVMVAXXVLJMHC-OWUYFMIJSA-N. The full InChI is InChI=1S/C22H16N6O6S/c23-20-17(26-24-15-7-9-16(10-8-15)28(30)31)11-6-13-12-18(35(32,33)34)21(22(29)19(13)20)27-25-14-4-2-1-3-5-14/h1-12,29H,23H2,(H,32,33,34)/b26-24+,27-25+.
What are the key properties of 5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid?
5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid has a molecular weight of 492.47 g/mol, XLogP of 6.11, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-6-[(4-nitrophenyl)diazenyl]-3-phenyldiazenylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 136634817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).