N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide

C26H23N7 — CID 176870941

IUPACN'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide
SMILESN/C(=N\c1ccccc1)c1ccc(/N=N/Nc2ccc(/C(N)=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C26H23N7/c27-25(29-21-7-3-1-4-8-21)19-11-15-23(16-12-19)31-33-32-24-17-13-20(14-18-24)26(28)30-22-9-5-2-6-10-22/h1-18H,(H2,27,29)(H2,28,30)(H,31,32)
InChIKeyUXVGMFJSMDCHIX-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.87
Rot. Bonds7

About N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide

N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide (PubChem CID 176870941) has the molecular formula C26H23N7 and a molecular weight of 433.52 g/mol. Its IUPAC name is N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide
PubChem CID176870941
Molecular FormulaC26H23N7
Molecular Weight433.52 g/mol
Exact Mass433.20
IUPAC NameN'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide
SMILESN/C(=N\c1ccccc1)c1ccc(/N=N/Nc2ccc(/C(N)=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C26H23N7/c27-25(29-21-7-3-1-4-8-21)19-11-15-23(16-12-19)31-33-32-24-17-13-20(14-18-24)26(28)30-22-9-5-2-6-10-22/h1-18H,(H2,27,29)(H2,28,30)(H,31,32)
InChIKeyUXVGMFJSMDCHIX-UHFFFAOYSA-N
XLogP5.87
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-phenyldiazenylphenyl)diazenyl]-4-[[4-[2-(4-phenyldiazenylphenyl)iminohydrazinyl]phenyl]diazenyl]aniline
CID 136797949
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
2-[(4-phenyldiazenylanilino)diazenyl]benzene-1,3-diol
CID 136723444
N-[(2,6-dimethylphenyl)diazenyl]-4-phenyldiazenylaniline
CID 86015373
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984
N'-[4-[benzyl(ethyl)amino]butyl]-4-[2-[4-[N'-[3-[benzyl(ethyl)amino]propyl]carbamimidoyl]phenyl]iminohydrazinyl]benzenecarboximidamide
CID 170271117
4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline
CID 101380460
4-chloro-N'-(4-chlorophenyl)benzenecarboximidamide
CID 11737167
N-[(2-phenyldiazenylphenyl)diazenyl]aniline
CID 71340001
N'-benzyl-3-[2-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]iminohydrazinyl]benzenecarboximidamide
CID 169205703
N'-(4-sulfamoylphenyl)benzenecarboximidamide
CID 55159197
4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;bis(piperidine);platinum(2+);dihydrochloride
CID 24901072

Frequently Asked Questions

What is the IUPAC name of N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide?
The IUPAC name of N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide (CID 176870941) is N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide.
What is the SMILES notation for N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide?
The canonical SMILES for N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide is N/C(=N\c1ccccc1)c1ccc(/N=N/Nc2ccc(/C(N)=N/c3ccccc3)cc2)cc1.
What is the InChIKey of N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide?
The InChIKey is UXVGMFJSMDCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7/c27-25(29-21-7-3-1-4-8-21)19-11-15-23(16-12-19)31-33-32-24-17-13-20(14-18-24)26(28)30-22-9-5-2-6-10-22/h1-18H,(H2,27,29)(H2,28,30)(H,31,32).
What are the key properties of N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide?
N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide has a molecular weight of 433.52 g/mol, XLogP of 5.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-4-[2-[4-(N'-phenylcarbamimidoyl)phenyl]iminohydrazinyl]benzenecarboximidamide is sourced from PubChem (CID 176870941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).