N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline

C24H22N8O8 — CID 3936149

IUPACN-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
SMILESCc1c(C)c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c(C)c1C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C24H22N8O8/c1-13-14(2)20(12-26-28-22-8-6-18(30(35)36)10-24(22)32(39)40)16(4)15(3)19(13)11-25-27-21-7-5-17(29(33)34)9-23(21)31(37)38/h5-12,27-28H,1-4H3
InChIKeyLXGFIZURMTYBMM-UHFFFAOYSA-N
MW550.49 g/mol
LogP5.45
Rot. Bonds10

About N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline

N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline (PubChem CID 3936149) has the molecular formula C24H22N8O8 and a molecular weight of 550.49 g/mol. Its IUPAC name is N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline.

Molecular Properties

Compound NameN-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
PubChem CID3936149
Molecular FormulaC24H22N8O8
Molecular Weight550.49 g/mol
Exact Mass550.16
IUPAC NameN-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
SMILESCc1c(C)c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c(C)c1C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C24H22N8O8/c1-13-14(2)20(12-26-28-22-8-6-18(30(35)36)10-24(22)32(39)40)16(4)15(3)19(13)11-25-27-21-7-5-17(29(33)34)9-23(21)31(37)38/h5-12,27-28H,1-4H3
InChIKeyLXGFIZURMTYBMM-UHFFFAOYSA-N
XLogP5.45
TPSA221.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500550.49
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(10-methylanthracen-9-yl)methylideneamino]-2,4-dinitroaniline
CID 126009433
N-[(Z)-(3,5-dimethyl-1,2-thiazol-4-yl)methylideneamino]-2,4-dinitroaniline
CID 6185581
4-chloro-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-3,5-dimethyl-6-nitrophenol
CID 136782887
N-[[3-[[3-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,4,6-triethylphenyl]methyl]-2,4,6-triethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 4072194
N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline
CID 22764781
5-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 135455298
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
CID 137129355
N-[(4-bromophenyl)methylideneamino]-2,4-dinitroaniline
CID 632518
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]-2,4-dinitroaniline
CID 9016165
N-[(4-methyl-3-pyridinyl)methylideneamino]-2,4-dinitroaniline
CID 2752399

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline?
The IUPAC name of N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline (CID 3936149) is N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline.
What is the SMILES notation for N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline?
The canonical SMILES for N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline is Cc1c(C)c(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c(C)c1C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline?
The InChIKey is LXGFIZURMTYBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O8/c1-13-14(2)20(12-26-28-22-8-6-18(30(35)36)10-24(22)32(39)40)16(4)15(3)19(13)11-25-27-21-7-5-17(29(33)34)9-23(21)31(37)38/h5-12,27-28H,1-4H3.
What are the key properties of N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline?
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline has a molecular weight of 550.49 g/mol, XLogP of 5.45, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline is sourced from PubChem (CID 3936149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).