8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide

C34H27N3O — CID 146263615

IUPAC8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide
SMILES[H]/N=C(\N=C(/C)c1ccccc1)c1cccc2oc3ccc(-c4ccc(Nc5ccccc5)c(C)c4)cc3c12
InChIInChI=1S/C34H27N3O/c1-22-20-25(16-18-30(22)37-27-12-7-4-8-13-27)26-17-19-31-29(21-26)33-28(14-9-15-32(33)38-31)34(35)36-23(2)24-10-5-3-6-11-24/h3-21,35,37H,1-2H3/b35-34-,36-23+
InChIKeyCIMBXTFTKUCVTQ-VLEIZQFCSA-N
MW493.61 g/mol
LogP9.14
Rot. Bonds5

About 8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide

8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide (PubChem CID 146263615) has the molecular formula C34H27N3O and a molecular weight of 493.61 g/mol. Its IUPAC name is 8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide.

Molecular Properties

Compound Name8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide
PubChem CID146263615
Molecular FormulaC34H27N3O
Molecular Weight493.61 g/mol
Exact Mass493.22
IUPAC Name8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide
SMILES[H]/N=C(\N=C(/C)c1ccccc1)c1cccc2oc3ccc(-c4ccc(Nc5ccccc5)c(C)c4)cc3c12
InChIInChI=1S/C34H27N3O/c1-22-20-25(16-18-30(22)37-27-12-7-4-8-13-27)26-17-19-31-29(21-26)33-28(14-9-15-32(33)38-31)34(35)36-23(2)24-10-5-3-6-11-24/h3-21,35,37H,1-2H3/b35-34-,36-23+
InChIKeyCIMBXTFTKUCVTQ-VLEIZQFCSA-N
XLogP9.14
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 59.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176759717
N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide
CID 170143185
N'-(benzenecarboximidoyl)benzenecarboximidamide;3-(9-methyldibenzofuran-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 142451988
N-[[methyl-[(5-methyl-2-methylidene-5H-1-benzoxepin-8-yl)methyl]amino]-phenylmethylidene]-8-phenyldibenzofuran-1-carboximidamide
CID 170129114
N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 145007215
N-[amino-(3-phenylphenyl)methylidene]-3-phenyldibenzofuran-1-carboximidamide
CID 174023175
N'-(benzenecarboximidoyl)-3-[8-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]benzenecarboximidamide
CID 145447845
N-[1-benzothiophen-2-yl(phenyl)methylidene]-8-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-carboximidamide
CID 158099162
N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine
CID 176759691
2-[3-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]benzenecarboximidoyl]-N,4-diphenylaniline
CID 176869711
8-(3-carbazol-9-yldibenzofuran-1-yl)-N'-(4-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide;toluene
CID 156643264
(Z)-3-imino-1-phenyl-3-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]prop-1-en-1-amine
CID 145447951

Frequently Asked Questions

What is the IUPAC name of 8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide?
The IUPAC name of 8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide (CID 146263615) is 8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide.
What is the SMILES notation for 8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide?
The canonical SMILES for 8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide is [H]/N=C(\N=C(/C)c1ccccc1)c1cccc2oc3ccc(-c4ccc(Nc5ccccc5)c(C)c4)cc3c12.
What is the InChIKey of 8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide?
The InChIKey is CIMBXTFTKUCVTQ-VLEIZQFCSA-N. The full InChI is InChI=1S/C34H27N3O/c1-22-20-25(16-18-30(22)37-27-12-7-4-8-13-27)26-17-19-31-29(21-26)33-28(14-9-15-32(33)38-31)34(35)36-23(2)24-10-5-3-6-11-24/h3-21,35,37H,1-2H3/b35-34-,36-23+.
What are the key properties of 8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide?
8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide has a molecular weight of 493.61 g/mol, XLogP of 9.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide is sourced from PubChem (CID 146263615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).