N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide

C23H18N8O5 — CID 22530681

IUPACN'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
SMILESO=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H18N8O5/c32-23(16-11-13-19(14-12-16)30(33)34)27-26-21-20(31(35)36)22(25-15-24-21)28-29(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H,27,32)(H2,24,25,26,28)
InChIKeyPJVMBIIAQWMDAF-UHFFFAOYSA-N
MW486.45 g/mol
LogP4.22
Rot. Bonds9

About N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide

N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide (PubChem CID 22530681) has the molecular formula C23H18N8O5 and a molecular weight of 486.45 g/mol. Its IUPAC name is N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
PubChem CID22530681
Molecular FormulaC23H18N8O5
Molecular Weight486.45 g/mol
Exact Mass486.14
IUPAC NameN'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
SMILESO=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H18N8O5/c32-23(16-11-13-19(14-12-16)30(33)34)27-26-21-20(31(35)36)22(25-15-24-21)28-29(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H,27,32)(H2,24,25,26,28)
InChIKeyPJVMBIIAQWMDAF-UHFFFAOYSA-N
XLogP4.22
TPSA168.46 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22530692
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide
CID 22530685
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526827
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 22530676
N'-[6-[2-(4-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22535520
2-chloro-N'-[5-nitro-6-[2-(4-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535685
4-nitro-N'-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22535699
4-nitro-N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531067
N'-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 23487779
N'-[6-(4-bromoanilino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22533079
N'-[6-(2-chloroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532046
2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22528078

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide?
The IUPAC name of N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide (CID 22530681) is N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide.
What is the SMILES notation for N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide?
The canonical SMILES for N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide is O=C(NNc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide?
The InChIKey is PJVMBIIAQWMDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O5/c32-23(16-11-13-19(14-12-16)30(33)34)27-26-21-20(31(35)36)22(25-15-24-21)28-29(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H,27,32)(H2,24,25,26,28).
What are the key properties of N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide?
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide has a molecular weight of 486.45 g/mol, XLogP of 4.22, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide is sourced from PubChem (CID 22530681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).