(4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide

C40H22Cl6N6O4 — CID 5489146

IUPAC(4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(NC(=O)C2=Cc3ccccc3/C(=N\Nc3cc(Cl)ccc3Cl)C2=O)cc1Cl)C1=Cc2ccccc2/C(=N/Nc2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C40H22Cl6N6O4/c41-21-9-11-27(43)33(15-21)49-51-35-23-7-3-1-5-19(23)13-25(37(35)53)39(55)47-31-17-30(46)32(18-29(31)45)48-40(56)26-14-20-6-2-4-8-24(20)36(38(26)54)52-50-34-16-22(42)10-12-28(34)44/h1-18,49-50H,(H,47,55)(H,48,56)/b51-35-,52-36+
InChIKeyMNLBCOXUPUYNFP-AQWQROAZSA-N
MW863.37 g/mol
LogP10.45
Rot. Bonds8

About (4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide

(4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide (PubChem CID 5489146) has the molecular formula C40H22Cl6N6O4 and a molecular weight of 863.37 g/mol. Its IUPAC name is (4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide.

Molecular Properties

Compound Name(4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide
PubChem CID5489146
Molecular FormulaC40H22Cl6N6O4
Molecular Weight863.37 g/mol
Exact Mass859.98
IUPAC Name(4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(NC(=O)C2=Cc3ccccc3/C(=N\Nc3cc(Cl)ccc3Cl)C2=O)cc1Cl)C1=Cc2ccccc2/C(=N/Nc2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C40H22Cl6N6O4/c41-21-9-11-27(43)33(15-21)49-51-35-23-7-3-1-5-19(23)13-25(37(35)53)39(55)47-31-17-30(46)32(18-29(31)45)48-40(56)26-14-20-6-2-4-8-24(20)36(38(26)54)52-50-34-16-22(42)10-12-28(34)44/h1-18,49-50H,(H,47,55)(H,48,56)/b51-35-,52-36+
InChIKeyMNLBCOXUPUYNFP-AQWQROAZSA-N
XLogP10.45
TPSA141.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.37
LogP ≤ 510.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide with MolForge

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Related Compounds

(4E)-N-[3-chloro-4-[[(4Z)-4-[(4-chloro-2-nitrophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(4-chloro-2-nitrophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide
CID 11979790
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 8760285
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
(4Z)-4-[[4-[4-[(2Z)-2-[3-(C-hydroxy-N-phenylcarbonimidoyl)-2-oxonaphthalen-1-ylidene]hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboximidic acid
CID 172916888
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
(3S)-N-(2,5-dichlorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 941228
N-(2,5-dichlorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497969
N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 80717854
N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
CID 848431

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide?
The IUPAC name of (4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide (CID 5489146) is (4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide.
What is the SMILES notation for (4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide?
The canonical SMILES for (4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide is O=C(Nc1cc(Cl)c(NC(=O)C2=Cc3ccccc3/C(=N\Nc3cc(Cl)ccc3Cl)C2=O)cc1Cl)C1=Cc2ccccc2/C(=N/Nc2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of (4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide?
The InChIKey is MNLBCOXUPUYNFP-AQWQROAZSA-N. The full InChI is InChI=1S/C40H22Cl6N6O4/c41-21-9-11-27(43)33(15-21)49-51-35-23-7-3-1-5-19(23)13-25(37(35)53)39(55)47-31-17-30(46)32(18-29(31)45)48-40(56)26-14-20-6-2-4-8-24(20)36(38(26)54)52-50-34-16-22(42)10-12-28(34)44/h1-18,49-50H,(H,47,55)(H,48,56)/b51-35-,52-36+.
What are the key properties of (4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide?
(4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide has a molecular weight of 863.37 g/mol, XLogP of 10.45, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-[2,5-dichloro-4-[[(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide is sourced from PubChem (CID 5489146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).