N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide

C32H23N3O — CID 174023175

IUPACN-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
SMILES[H]/N=C(\N=C(/N)c1cccc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc2oc3ccccc3c12
InChIInChI=1S/C32H23N3O/c33-31(24-15-9-14-23(18-24)21-10-3-1-4-11-21)35-32(34)27-19-25(22-12-5-2-6-13-22)20-29-30(27)26-16-7-8-17-28(26)36-29/h1-20H,(H3,33,34,35)
InChIKeyUMYKNVCQGMFKBN-UHFFFAOYSA-N
MW465.56 g/mol
LogP7.65
Rot. Bonds4

About N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide

N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide (PubChem CID 174023175) has the molecular formula C32H23N3O and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide.

Molecular Properties

Compound NameN-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
PubChem CID174023175
Molecular FormulaC32H23N3O
Molecular Weight465.56 g/mol
Exact Mass465.18
IUPAC NameN-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
SMILES[H]/N=C(\N=C(/N)c1cccc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc2oc3ccccc3c12
InChIInChI=1S/C32H23N3O/c33-31(24-15-9-14-23(18-24)21-10-3-1-4-11-21)35-32(34)27-19-25(22-12-5-2-6-13-22)20-29-30(27)26-16-7-8-17-28(26)36-29/h1-20H,(H3,33,34,35)
InChIKeyUMYKNVCQGMFKBN-UHFFFAOYSA-N
XLogP7.65
TPSA75.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
N-[(dibenzofuran-1-ylmethylideneamino)-[3-phenyl-5-(3-phenylphenyl)phenyl]methylidene]dibenzofuran-4-carboximidamide
CID 176831362
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
8-(3-dibenzothiophen-3-yldibenzofuran-1-yl)-N'-(naphthalene-2-carboximidoyl)dibenzofuran-1-carboximidamide
CID 156643136
N-[(3-dibenzofuran-4-ylphenyl)methylidene]-N'-(3-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide
CID 176837498
dibenzofuran-2-yl-(3-phenylphenyl)methanimine
CID 167230437
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
CID 171587185
N'-(benzenecarboximidoyl)-3,4-di(carbazol-9-yl)-2-(3,5-diphenylphenyl)benzenecarboximidamide
CID 142318896
N-[amino(phenyl)methylidene]-10-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenanthrene-9-carboximidamide
CID 137302881
N'-(benzenecarboximidoyl)-3-[5-[9-(4-phenylphenyl)carbazol-2-yl]triphenylen-2-yl]benzenecarboximidamide
CID 145452787
N'-(benzenecarboximidoyl)benzenecarboximidamide;5-(9-methyldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170785636

Frequently Asked Questions

What is the IUPAC name of N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide?
The IUPAC name of N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide (CID 174023175) is N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide.
What is the SMILES notation for N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide?
The canonical SMILES for N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide is [H]/N=C(\N=C(/N)c1cccc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc2oc3ccccc3c12.
What is the InChIKey of N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide?
The InChIKey is UMYKNVCQGMFKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3O/c33-31(24-15-9-14-23(18-24)21-10-3-1-4-11-21)35-32(34)27-19-25(22-12-5-2-6-13-22)20-29-30(27)26-16-7-8-17-28(26)36-29/h1-20H,(H3,33,34,35).
What are the key properties of N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide?
N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide has a molecular weight of 465.56 g/mol, XLogP of 7.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide is sourced from PubChem (CID 174023175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).