(3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid

C34H25N9O10S3 — CID 5474329

IUPAC(3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid
SMILESNc1ccc2c(c1/N=N/c1ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc1)C=C(S(=O)(=O)O)/C(=N\Nc1ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc1)C2=O
InChIInChI=1S/C34H25N9O10S3/c35-30-18-17-28-29(32(30)42-40-22-5-1-20(2-6-22)36-38-24-9-13-26(14-10-24)54(45,46)47)19-31(56(51,52)53)33(34(28)44)43-41-23-7-3-21(4-8-23)37-39-25-11-15-27(16-12-25)55(48,49)50/h1-19,41H,35H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)/b38-36+,39-37+,42-40+,43-33+
InChIKeyIPCUTOJIILLUSL-UJZHRZHUSA-N
MW815.83 g/mol
LogP7.90
Rot. Bonds11

About (3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid

(3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid (PubChem CID 5474329) has the molecular formula C34H25N9O10S3 and a molecular weight of 815.83 g/mol. Its IUPAC name is (3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name(3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid
PubChem CID5474329
Molecular FormulaC34H25N9O10S3
Molecular Weight815.83 g/mol
Exact Mass815.09
IUPAC Name(3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid
SMILESNc1ccc2c(c1/N=N/c1ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc1)C=C(S(=O)(=O)O)/C(=N\Nc1ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc1)C2=O
InChIInChI=1S/C34H25N9O10S3/c35-30-18-17-28-29(32(30)42-40-22-5-1-20(2-6-22)36-38-24-9-13-26(14-10-24)54(45,46)47)19-31(56(51,52)53)33(34(28)44)43-41-23-7-3-21(4-8-23)37-39-25-11-15-27(16-12-25)55(48,49)50/h1-19,41H,35H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)/b38-36+,39-37+,42-40+,43-33+
InChIKeyIPCUTOJIILLUSL-UJZHRZHUSA-N
XLogP7.90
TPSA304.75 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.83
LogP ≤ 57.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-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

3-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-6-[(2,4-diaminophenyl)diazenyl]-4-oxonaphthalene-2-sulfonic acid
CID 6811642
(3E)-6-acetamido-4-oxo-3-[[4-[[4-[(4-sulfophenyl)diazenyl]phenyl]carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid
CID 5479856
5-amino-3-[[4-[4-[2-[6-[2-(8-amino-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
CID 6846248
4,4''-(Diazoamino)dibenzenesulfonic acid disodium salt
CID 166600375
N-[4-[(2Z)-2-(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]-4-[[(7E)-1-amino-8-oxo-3,6-disulfo-7-[(4-sulfophenyl)hydrazinylidene]naphthalen-2-yl]diazenyl]benzenecarboximidic acid
CID 172936257
5-[[4-[4-[(2E)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 136609200
(6E)-4-amino-3-[[4-[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
CID 5464755
5-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]phenyl]hydrazinylidene]-6-[(3-nitrophenyl)diazenyl]-4-oxonaphthalene-2,7-disulfonic acid
CID 6791221
(1E)-5-acetamido-4-oxo-1-[[4-[[4-[(4-sulfophenyl)diazenyl]phenyl]carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid
CID 5464715
5-amino-3-[[4-[4-[2-[6-amino-5-[(4-nitro-2-sulfonatophenyl)diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
CID 6848751
7-[(4-aminobenzoyl)amino]-4-oxo-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonate
CID 6784974
5-[2-[4-[4-[[6-amino-5-[(4-nitro-2-sulfophenyl)diazenyl]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]hydrazinyl]-2-hydroxybenzoic acid
CID 136917453

Frequently Asked Questions

What is the IUPAC name of (3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid?
The IUPAC name of (3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid (CID 5474329) is (3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid.
What is the SMILES notation for (3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid?
The canonical SMILES for (3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid is Nc1ccc2c(c1/N=N/c1ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc1)C=C(S(=O)(=O)O)/C(=N\Nc1ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc1)C2=O.
What is the InChIKey of (3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid?
The InChIKey is IPCUTOJIILLUSL-UJZHRZHUSA-N. The full InChI is InChI=1S/C34H25N9O10S3/c35-30-18-17-28-29(32(30)42-40-22-5-1-20(2-6-22)36-38-24-9-13-26(14-10-24)54(45,46)47)19-31(56(51,52)53)33(34(28)44)43-41-23-7-3-21(4-8-23)37-39-25-11-15-27(16-12-25)55(48,49)50/h1-19,41H,35H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)/b38-36+,39-37+,42-40+,43-33+.
What are the key properties of (3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid?
(3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid has a molecular weight of 815.83 g/mol, XLogP of 7.90, 11 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-amino-4-oxo-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid is sourced from PubChem (CID 5474329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).