N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide

C25H19N5O2 — CID 3092123

IUPACN-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide
SMILESO=[N+]([O-])c1ccc(/N=N/C(=NN(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19N5O2/c31-30(32)24-18-16-21(17-19-24)26-27-25(20-10-4-1-5-11-20)28-29(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/b27-26+,28-25?
InChIKeyZVWGQDLJZCNLJN-JXIJPUISSA-N
MW421.46 g/mol
LogP6.88
Rot. Bonds6

About N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide

N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide (PubChem CID 3092123) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide
PubChem CID3092123
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC NameN-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide
SMILESO=[N+]([O-])c1ccc(/N=N/C(=NN(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H19N5O2/c31-30(32)24-18-16-21(17-19-24)26-27-25(20-10-4-1-5-11-20)28-29(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/b27-26+,28-25?
InChIKeyZVWGQDLJZCNLJN-JXIJPUISSA-N
XLogP6.88
TPSA83.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(4-nitrophenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 2827281
1-(4-Nitrophenyl)-3,5-diphenylformazan
CID 5750806
4-Nitrobenzaldehyde benzyl(phenyl)hydrazone
CID 9584771
2-(4-nitrophenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium bromide
CID 376149
6-(4-Nitrophenyl)-2,4-diphenylverdazyl
CID 3082339
N'-anilino-N-(4-nitrophenyl)iminobenzenecarboximidamide
CID 307169
[(1E)-2-(4-nitrophenyl)-1-azavinyl]diphenylamine
CID 9589798
CID 53400513
CID 53400513
1,2,3,5-Tetraphenyltetrazole
CID 53874756
Iodophenyl-3-p-nitrophenyl-5-phenyltetrazoliumchloride
CID 129880520
2-(4-methylphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium bromide
CID 376159
3-Nitrobenzaldehyde diphenylhydrazone
CID 5334519

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide?
The IUPAC name of N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide (CID 3092123) is N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide.
What is the SMILES notation for N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide?
The canonical SMILES for N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide is O=[N+]([O-])c1ccc(/N=N/C(=NN(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide?
The InChIKey is ZVWGQDLJZCNLJN-JXIJPUISSA-N. The full InChI is InChI=1S/C25H19N5O2/c31-30(32)24-18-16-21(17-19-24)26-27-25(20-10-4-1-5-11-20)28-29(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/b27-26+,28-25?.
What are the key properties of N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide?
N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide has a molecular weight of 421.46 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)imino-N'-(N-phenylanilino)benzenecarboximidamide is sourced from PubChem (CID 3092123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).