4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid

C48H34Cl2N6O4 — CID 170841565

IUPAC4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid
SMILESCc1ccccc1/N=C(\O)c1cc2ccccc2c(/N=N/c2ccc(-c3ccc(/N=N/c4c(O)c(/C(O)=N/c5ccccc5C)cc5ccccc45)c(Cl)c3)cc2Cl)c1O
InChIInChI=1S/C48H34Cl2N6O4/c1-27-11-3-9-17-39(27)51-47(59)35-23-31-13-5-7-15-33(31)43(45(35)57)55-53-41-21-19-29(25-37(41)49)30-20-22-42(38(50)26-30)54-56-44-34-16-8-6-14-32(34)24-36(46(44)58)48(60)52-40-18-10-4-12-28(40)2/h3-26,57-58H,1-2H3,(H,51,59)(H,52,60)/b55-53+,56-54+
InChIKeySAKWTDHUKNQAMN-DSZBTAPASA-N
MW829.74 g/mol
LogP15.10
Rot. Bonds9

About 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid

4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid (PubChem CID 170841565) has the molecular formula C48H34Cl2N6O4 and a molecular weight of 829.74 g/mol. Its IUPAC name is 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid.

Molecular Properties

Compound Name4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid
PubChem CID170841565
Molecular FormulaC48H34Cl2N6O4
Molecular Weight829.74 g/mol
Exact Mass828.20
IUPAC Name4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid
SMILESCc1ccccc1/N=C(\O)c1cc2ccccc2c(/N=N/c2ccc(-c3ccc(/N=N/c4c(O)c(/C(O)=N/c5ccccc5C)cc5ccccc45)c(Cl)c3)cc2Cl)c1O
InChIInChI=1S/C48H34Cl2N6O4/c1-27-11-3-9-17-39(27)51-47(59)35-23-31-13-5-7-15-33(31)43(45(35)57)55-53-41-21-19-29(25-37(41)49)30-20-22-42(38(50)26-30)54-56-44-34-16-8-6-14-32(34)24-36(46(44)58)48(60)52-40-18-10-4-12-28(40)2/h3-26,57-58H,1-2H3,(H,51,59)(H,52,60)/b55-53+,56-54+
InChIKeySAKWTDHUKNQAMN-DSZBTAPASA-N
XLogP15.10
TPSA155.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.74
LogP ≤ 515.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic 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

N-(5-chloro-2-methylphenyl)-3-hydroxy-4-[[5-(C-hydroxy-N-phenylcarbonimidoyl)-2-methoxyphenyl]diazenyl]naphthalene-2-carboximidic acid
CID 136918743
4-[(2-chloro-6-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 3018314
4-[(2,3-dichlorophenyl)diazenyl]-3-hydroxy-N-[5-[[hydroxy-[3-hydroxy-4-[(2-methoxy-4-nitrophenyl)diazenyl]naphthalen-2-yl]methylidene]amino]naphthalen-1-yl]naphthalene-2-carboximidic acid
CID 136677387
4-[(2-chloro-3-methylphenyl)diazenyl]-N-[4-[[4-[(2-chloro-3-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136854780
calcium;4-[(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid;hydride
CID 173363896
4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-[4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]benzenecarboximidic acid
CID 136849552
disodium;hydride;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid
CID 173040518
(2,5-dichlorophenyl) 3-[[3-[[4-[[4-[[3-(2,5-dichlorophenoxy)carbonyl-2-methylphenyl]diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzoate
CID 136854745
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
3-[[3-[[4-[[4-[(3-carboxy-6-methyl-2-propan-2-ylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dichlorophenyl]carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-methyl-2-propan-2-ylbenzoic acid
CID 151675818
N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177482631
2-chloro-4-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-5-methylbenzenesulfonic acid
CID 136707939

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid?
The IUPAC name of 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid (CID 170841565) is 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid.
What is the SMILES notation for 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid?
The canonical SMILES for 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid is Cc1ccccc1/N=C(\O)c1cc2ccccc2c(/N=N/c2ccc(-c3ccc(/N=N/c4c(O)c(/C(O)=N/c5ccccc5C)cc5ccccc45)c(Cl)c3)cc2Cl)c1O.
What is the InChIKey of 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid?
The InChIKey is SAKWTDHUKNQAMN-DSZBTAPASA-N. The full InChI is InChI=1S/C48H34Cl2N6O4/c1-27-11-3-9-17-39(27)51-47(59)35-23-31-13-5-7-15-33(31)43(45(35)57)55-53-41-21-19-29(25-37(41)49)30-20-22-42(38(50)26-30)54-56-44-34-16-8-6-14-32(34)24-36(46(44)58)48(60)52-40-18-10-4-12-28(40)2/h3-26,57-58H,1-2H3,(H,51,59)(H,52,60)/b55-53+,56-54+.
What are the key properties of 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid?
4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid has a molecular weight of 829.74 g/mol, XLogP of 15.10, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-4-[3-chloro-4-[[2-hydroxy-3-[C-hydroxy-N-(2-methylphenyl)carbonimidoyl]naphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboximidic acid is sourced from PubChem (CID 170841565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).