4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid

C33H24N6O9S2 — CID 177409198

IUPAC4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid
SMILESO=C(Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c2c1)Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c2c1
InChIInChI=1S/C33H24N6O9S2/c40-31-25-17-23(13-11-19(25)15-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-14-12-20-16-28(50(46,47)48)30(32(41)26(20)18-24)39-37-22-9-5-2-6-10-22/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48)/b38-36+,39-37+
InChIKeyQKHFYRMAXLOSHJ-NFSGFYSESA-N
MW712.72 g/mol
LogP8.37
Rot. Bonds8

About 4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid

4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid (PubChem CID 177409198) has the molecular formula C33H24N6O9S2 and a molecular weight of 712.72 g/mol. Its IUPAC name is 4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid
PubChem CID177409198
Molecular FormulaC33H24N6O9S2
Molecular Weight712.72 g/mol
Exact Mass712.10
IUPAC Name4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid
SMILESO=C(Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c2c1)Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c2c1
InChIInChI=1S/C33H24N6O9S2/c40-31-25-17-23(13-11-19(25)15-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-14-12-20-16-28(50(46,47)48)30(32(41)26(20)18-24)39-37-22-9-5-2-6-10-22/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48)/b38-36+,39-37+
InChIKeyQKHFYRMAXLOSHJ-NFSGFYSESA-N
XLogP8.37
TPSA239.77 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500712.72
LogP ≤ 58.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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 4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-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-3-[[4-[[4-[(1-amino-8-hydroxy-7-phenyldiazenyl-3,6-disulfonaphthalen-2-yl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 135571061
3-[(4-aminophenyl)diazenyl]-6-anilino-4-hydroxynaphthalene-2-sulfonic acid
CID 136917514
4-hydroxy-6-methyl-3-phenyldiazenylnaphthalene-2-sulfonic acid
CID 154602868
disodium;7-[[4-[(8-oxido-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]-2-phenyldiazenyl-3-sulfonaphthalen-1-olate
CID 101227538
trisodium;5-[[4-[[4-[(1-amino-8-hydroxy-7-phenyldiazenyl-3,6-disulfonaphthalen-2-yl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 137255453
4-hydroxy-7-(4-methoxyanilino)-3-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137002037
2-hydroxy-5-[[4-[4-[[1-hydroxy-7-(methylamino)-3-sulfonaphthalen-2-yl]diazenyl]phenyl]phenyl]diazenyl]benzoic acid
CID 136714766
3-[[2,5-dimethyl-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonic acid
CID 136917498
CID 170845776
CID 170845776
CID 170843193
CID 170843193
4-amino-N-[5-hydroxy-6-[[4-[[8-hydroxy-7-[(4-methylphenyl)diazenyl]-6-sulfonaphthalen-2-yl]carbamoyl]phenyl]diazenyl]-7-sulfonaphthalen-2-yl]benzenecarboximidic acid
CID 136775129
5-[[4-[[7-(1-carboxyethylamino)-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]naphthalen-1-yl]diazenyl]benzene-1,3-dicarboxylic acid
CID 135827506

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid?
The IUPAC name of 4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid (CID 177409198) is 4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid?
The canonical SMILES for 4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid is O=C(Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c2c1)Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c2c1.
What is the InChIKey of 4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid?
The InChIKey is QKHFYRMAXLOSHJ-NFSGFYSESA-N. The full InChI is InChI=1S/C33H24N6O9S2/c40-31-25-17-23(13-11-19(25)15-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-14-12-20-16-28(50(46,47)48)30(32(41)26(20)18-24)39-37-22-9-5-2-6-10-22/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48)/b38-36+,39-37+.
What are the key properties of 4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid?
4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid has a molecular weight of 712.72 g/mol, XLogP of 8.37, 8 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[(8-hydroxy-7-phenyldiazenyl-6-sulfonaphthalen-2-yl)carbamoylamino]-3-phenyldiazenylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 177409198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).