(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

C40H23Cl3N8O8 — CID 11979790

IUPAC(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
SMILESO=C(Nc1ccc(NC(=O)C2=Cc3ccccc3/C(=N\Nc3ccc(Cl)cc3[N+](=O)[O-])C2=O)cc1Cl)C1=Cc2ccccc2/C(=N/Nc2ccc(Cl)cc2[N+](=O)[O-])C1=O
InChIInChI=1S/C40H23Cl3N8O8/c41-22-9-12-31(33(17-22)50(56)57)46-48-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)44-24-11-14-30(29(43)19-24)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-32-13-10-23(42)18-34(32)51(58)59/h1-19,46-47H,(H,44,54)(H,45,55)/b48-35+,49-36-
InChIKeyMEDUCLLDAABWSK-SZLGMBHPSA-N
MW850.03 g/mol
LogP8.31
Rot. Bonds10

About (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

(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 (PubChem CID 11979790) has the molecular formula C40H23Cl3N8O8 and a molecular weight of 850.03 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID11979790
Molecular FormulaC40H23Cl3N8O8
Molecular Weight850.03 g/mol
Exact Mass848.07
IUPAC Name(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
SMILESO=C(Nc1ccc(NC(=O)C2=Cc3ccccc3/C(=N\Nc3ccc(Cl)cc3[N+](=O)[O-])C2=O)cc1Cl)C1=Cc2ccccc2/C(=N/Nc2ccc(Cl)cc2[N+](=O)[O-])C1=O
InChIInChI=1S/C40H23Cl3N8O8/c41-22-9-12-31(33(17-22)50(56)57)46-48-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)44-24-11-14-30(29(43)19-24)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-32-13-10-23(42)18-34(32)51(58)59/h1-19,46-47H,(H,44,54)(H,45,55)/b48-35+,49-36-
InChIKeyMEDUCLLDAABWSK-SZLGMBHPSA-N
XLogP8.31
TPSA227.40 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500850.03
LogP ≤ 58.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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': 'nitro_group', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

(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
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide
CID 2850372
4-chloro-N-naphthalen-2-yl-2-nitrobenzamide
CID 896015
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 55778627
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 5153944
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
5-chloro-N-(2,4-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476480
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
4-chloro-N-[2-(4-methylanilino)phenyl]-2-nitrobenzamide
CID 108745100
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(Nc1ccc(NC(=O)C2=Cc3ccccc3/C(=N\Nc3ccc(Cl)cc3[N+](=O)[O-])C2=O)cc1Cl)C1=Cc2ccccc2/C(=N/Nc2ccc(Cl)cc2[N+](=O)[O-])C1=O.
What is the InChIKey of (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?
The InChIKey is MEDUCLLDAABWSK-SZLGMBHPSA-N. The full InChI is InChI=1S/C40H23Cl3N8O8/c41-22-9-12-31(33(17-22)50(56)57)46-48-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)44-24-11-14-30(29(43)19-24)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-32-13-10-23(42)18-34(32)51(58)59/h1-19,46-47H,(H,44,54)(H,45,55)/b48-35+,49-36-.
What are the key properties of (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?
(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 has a molecular weight of 850.03 g/mol, XLogP of 8.31, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 11979790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).